N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

C22H21Cl3N2O2 — CID 66526751

IUPACN-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(OCc2c(Cl)cccc2Cl)c(CNCCCOc2ccccn2)c1
InChIInChI=1S/C22H21Cl3N2O2/c23-17-8-9-21(29-15-18-19(24)5-3-6-20(18)25)16(13-17)14-26-10-4-12-28-22-7-1-2-11-27-22/h1-3,5-9,11,13,26H,4,10,12,14-15H2
InChIKeyWJESCXBGVILYNB-UHFFFAOYSA-N
MW451.78 g/mol
LogP6.18
Rot. Bonds10

About N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526751) has the molecular formula C22H21Cl3N2O2 and a molecular weight of 451.78 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526751
Molecular FormulaC22H21Cl3N2O2
Molecular Weight451.78 g/mol
Exact Mass450.07
IUPAC NameN-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(OCc2c(Cl)cccc2Cl)c(CNCCCOc2ccccn2)c1
InChIInChI=1S/C22H21Cl3N2O2/c23-17-8-9-21(29-15-18-19(24)5-3-6-20(18)25)16(13-17)14-26-10-4-12-28-22-7-1-2-11-27-22/h1-3,5-9,11,13,26H,4,10,12,14-15H2
InChIKeyWJESCXBGVILYNB-UHFFFAOYSA-N
XLogP6.18
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526352
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525916
N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132896157
N-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526688
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526459

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526751) is N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is Clc1ccc(OCc2c(Cl)cccc2Cl)c(CNCCCOc2ccccn2)c1.
What is the InChIKey of N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is WJESCXBGVILYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N2O2/c23-17-8-9-21(29-15-18-19(24)5-3-6-20(18)25)16(13-17)14-26-10-4-12-28-22-7-1-2-11-27-22/h1-3,5-9,11,13,26H,4,10,12,14-15H2.
What are the key properties of N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 451.78 g/mol, XLogP of 6.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).