N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

C16H19ClN2O — CID 105025798

IUPACN-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1cncc(OC)c1
InChIInChI=1S/C16H19ClN2O/c1-4-19-16(12-5-11(2)6-14(17)7-12)13-8-15(20-3)10-18-9-13/h5-10,16,19H,4H2,1-3H3
InChIKeyKUENSQIHGTTXMU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.75
Rot. Bonds5

About N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105025798) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105025798
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1cncc(OC)c1
InChIInChI=1S/C16H19ClN2O/c1-4-19-16(12-5-11(2)6-14(17)7-12)13-8-15(20-3)10-18-9-13/h5-10,16,19H,4H2,1-3H3
InChIKeyKUENSQIHGTTXMU-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

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(3-bromo-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025989
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754
N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81316265
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (CID 105025798) is N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1cncc(OC)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is KUENSQIHGTTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-19-16(12-5-11(2)6-14(17)7-12)13-8-15(20-3)10-18-9-13/h5-10,16,19H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(5-methoxy-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-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105025798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).