1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine

C16H19ClN2 — CID 103910707

IUPAC1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1cccnc1CNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-12-4-3-9-18-16(12)11-19-13(2)10-14-5-7-15(17)8-6-14/h3-9,13,19H,10-11H2,1-2H3
InChIKeyHQQVHKOXIBYWEH-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.76
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine

1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 103910707) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
PubChem CID103910707
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1cccnc1CNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-12-4-3-9-18-16(12)11-19-13(2)10-14-5-7-15(17)8-6-14/h3-9,13,19H,10-11H2,1-2H3
InChIKeyHQQVHKOXIBYWEH-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 112650189
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
[2-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209390
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine (CID 103910707) is 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine is Cc1cccnc1CNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is HQQVHKOXIBYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-4-3-9-18-16(12)11-19-13(2)10-14-5-7-15(17)8-6-14/h3-9,13,19H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine?
1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 274.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 103910707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).