N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine

C20H19ClN2 — CID 127041214

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H19ClN2/c1-23(15-17-6-10-20(21)11-7-17)14-16-4-8-18(9-5-16)19-3-2-12-22-13-19/h2-13H,14-15H2,1H3
InChIKeyUHCGGEQMDSJSGH-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.03
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine

N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine (PubChem CID 127041214) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
PubChem CID127041214
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H19ClN2/c1-23(15-17-6-10-20(21)11-7-17)14-16-4-8-18(9-5-16)19-3-2-12-22-13-19/h2-13H,14-15H2,1H3
InChIKeyUHCGGEQMDSJSGH-UHFFFAOYSA-N
XLogP5.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Benzhydrylpyridine
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(-)-Chlorpheniramine
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2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
13-Chloro-2-(1-ethylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10315110
13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine (CID 127041214) is N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine is CN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The InChIKey is UHCGGEQMDSJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c1-23(15-17-6-10-20(21)11-7-17)14-16-4-8-18(9-5-16)19-3-2-12-22-13-19/h2-13H,14-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine has a molecular weight of 322.84 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 127041214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).