N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine

C34H35ClF3N3O2 — CID 10196907

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine
SMILESFC(F)(F)c1cccc(CN(CCCOc2cccc(N3CCOCC3)n2)CC(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C34H35ClF3N3O2/c35-33-28(14-7-15-30(33)34(36,37)38)24-40(25-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27)18-9-21-43-32-17-8-16-31(39-32)41-19-22-42-23-20-41/h1-8,10-17,29H,9,18-25H2
InChIKeyDZCYSSRRZVPYLP-UHFFFAOYSA-N
MW610.12 g/mol
LogP7.69
Rot. Bonds12

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine (PubChem CID 10196907) has the molecular formula C34H35ClF3N3O2 and a molecular weight of 610.12 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine
PubChem CID10196907
Molecular FormulaC34H35ClF3N3O2
Molecular Weight610.12 g/mol
Exact Mass609.24
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine
SMILESFC(F)(F)c1cccc(CN(CCCOc2cccc(N3CCOCC3)n2)CC(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C34H35ClF3N3O2/c35-33-28(14-7-15-30(33)34(36,37)38)24-40(25-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27)18-9-21-43-32-17-8-16-31(39-32)41-19-22-42-23-20-41/h1-8,10-17,29H,9,18-25H2
InChIKeyDZCYSSRRZVPYLP-UHFFFAOYSA-N
XLogP7.69
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.12
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US20250066377, Example 21
CID 168942092
3-(6-chloropyridin-2-yl)oxy-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)propan-1-amine
CID 10218422
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(6-piperazin-1-ylpyridin-2-yl)oxypropan-1-amine
CID 10218762
2-[4-[6-[3-[[2-Chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]pyridin-2-yl]piperazin-1-yl]acetic acid
CID 10290234
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]oxypropan-1-amine
CID 10312380
(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-[3-(6-piperazin-1-yl-pyridin-2-yloxy)-propyl]-amine Hydrochloride
CID 69253044
4-{6-(3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazine-1-carboxylic Acid Tert-Butyl Ester
CID 69253209
(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-[3-(6-morpholin-4-yl-pyridin-2-yloxy)-propyl]-amine hydrochloride salt
CID 69253588
[4-(6-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazin-1-yl]-acetic Acid Methyl Ester
CID 69253888
[4-(6-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazin-1-yl]-acetic acid hydrochloride salt
CID 69254330
[3-(6-Chloro-pyridin-2-yloxy)-propyl]-(2-chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amine hydrochloride salt
CID 86598285
(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-{3-[6-(4-methyl-piperazin-1-yl)-pyridin-2-yloxy]-propyl}-amine dimesylate salt
CID 86598286

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine (CID 10196907) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine is FC(F)(F)c1cccc(CN(CCCOc2cccc(N3CCOCC3)n2)CC(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is DZCYSSRRZVPYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClF3N3O2/c35-33-28(14-7-15-30(33)34(36,37)38)24-40(25-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27)18-9-21-43-32-17-8-16-31(39-32)41-19-22-42-23-20-41/h1-8,10-17,29H,9,18-25H2.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 610.12 g/mol, XLogP of 7.69, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 10196907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).