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

C16H19ClN2 — CID 63840842

IUPACN-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(C)ccn1
InChIInChI=1S/C16H19ClN2/c1-3-8-19-16(13-5-4-6-14(17)11-13)15-10-12(2)7-9-18-15/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyQNDMFCFAFKMHHY-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.13
Rot. Bonds5

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

N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 63840842) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID63840842
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(C)ccn1
InChIInChI=1S/C16H19ClN2/c1-3-8-19-16(13-5-4-6-14(17)11-13)15-10-12(2)7-9-18-15/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyQNDMFCFAFKMHHY-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
(3-chlorophenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63839417
N-[(3-chlorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374829
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360528
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (CID 63840842) is N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1cc(C)ccn1.
What is the InChIKey of N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is QNDMFCFAFKMHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-8-19-16(13-5-4-6-14(17)11-13)15-10-12(2)7-9-18-15/h4-7,9-11,16,19H,3,8H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63840842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).