1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C15H17ClN2 — CID 55139743

IUPAC1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Cl)cn1
InChIInChI=1S/C15H17ClN2/c1-11-7-8-13(9-17-11)10-18-12(2)14-5-3-4-6-15(14)16/h3-9,12,18H,10H2,1-2H3
InChIKeyMSGFBQZWXUXDBY-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 55139743) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID55139743
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Cl)cn1
InChIInChI=1S/C15H17ClN2/c1-11-7-8-13(9-17-11)10-18-12(2)14-5-3-4-6-15(14)16/h3-9,12,18H,10H2,1-2H3
InChIKeyMSGFBQZWXUXDBY-UHFFFAOYSA-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

1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 55139743) is 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccccc2Cl)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is MSGFBQZWXUXDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-7-8-13(9-17-11)10-18-12(2)14-5-3-4-6-15(14)16/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]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 1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 55139743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).