N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine

C18H23ClN2 — CID 142144018

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H23ClN2/c1-3-13-21(14-4-2)18(17-7-5-6-12-20-17)15-8-10-16(19)11-9-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyOEWKCGAOZVBXIA-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.95
Rot. Bonds7

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine (PubChem CID 142144018) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
PubChem CID142144018
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H23ClN2/c1-3-13-21(14-4-2)18(17-7-5-6-12-20-17)15-8-10-16(19)11-9-15/h5-12,18H,3-4,13-14H2,1-2H3
InChIKeyOEWKCGAOZVBXIA-UHFFFAOYSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
CID 95979967
N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183071
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(piperidin-4-ylmethyl)propan-2-amine;hydrochloride
CID 121413091
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-ethylpiperazine;propane
CID 142144009
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine (CID 142144018) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine is CCCN(CCC)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine?
The InChIKey is OEWKCGAOZVBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-13-21(14-4-2)18(17-7-5-6-12-20-17)15-8-10-16(19)11-9-15/h5-12,18H,3-4,13-14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 142144018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).