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

C15H17ClN2 — CID 114698542

IUPAC1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2/c1-11-9-17-8-7-13(11)10-18-12(2)14-5-3-4-6-15(14)16/h3-9,12,18H,10H2,1-2H3
InChIKeyDGZOGHRIKRESEP-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

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

1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 114698542) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID114698542
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2/c1-11-9-17-8-7-13(11)10-18-12(2)14-5-3-4-6-15(14)16/h3-9,12,18H,10H2,1-2H3
InChIKeyDGZOGHRIKRESEP-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

N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
CID 115901861
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
1-(2-chlorophenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78836003

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (CID 114698542) is 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is Cc1cnccc1CNC(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is DGZOGHRIKRESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-9-17-8-7-13(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-[(3-methyl-4-pyridinyl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(3-methyl-4-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-[(3-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114698542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).