(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine

C15H17ClN2 — CID 81355702

IUPAC(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccncc2Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-11-3-5-13(6-4-11)12(2)18-9-14-7-8-17-10-15(14)16/h3-8,10,12,18H,9H2,1-2H3/t12-/m0/s1
InChIKeyHKWIFWQCIJXJOT-LBPRGKRZSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

About (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81355702) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81355702
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2ccncc2Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-11-3-5-13(6-4-11)12(2)18-9-14-7-8-17-10-15(14)16/h3-8,10,12,18H,9H2,1-2H3/t12-/m0/s1
InChIKeyHKWIFWQCIJXJOT-LBPRGKRZSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 106862995
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
2-N-[(3-chloro-4-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937773
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine (CID 81355702) is (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2ccncc2Cl)cc1.
What is the InChIKey of (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is HKWIFWQCIJXJOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-3-5-13(6-4-11)12(2)18-9-14-7-8-17-10-15(14)16/h3-8,10,12,18H,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).