N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

C16H19ClN2O — CID 105164579

IUPACN-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccnc1C
InChIInChI=1S/C16H19ClN2O/c1-4-18-16(13-6-5-9-19-11(13)2)12-7-8-14(17)15(10-12)20-3/h5-10,16,18H,4H2,1-3H3
InChIKeyOYEKFGGNLBSRAM-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.75
Rot. Bonds5

About N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105164579) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105164579
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccnc1C
InChIInChI=1S/C16H19ClN2O/c1-4-18-16(13-6-5-9-19-11(13)2)12-7-8-14(17)15(10-12)20-3/h5-10,16,18H,4H2,1-3H3
InChIKeyOYEKFGGNLBSRAM-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105140352
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105164507
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine (CID 105164579) is N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1cccnc1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is OYEKFGGNLBSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-18-16(13-6-5-9-19-11(13)2)12-7-8-14(17)15(10-12)20-3/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105164579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).