N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

C15H17ClN2O2 — CID 54855342

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cc(Cl)c(CNCc2cccnc2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-19-14-6-12(13(16)7-15(14)20-2)10-18-9-11-4-3-5-17-8-11/h3-8,18H,9-10H2,1-2H3
InChIKeyKWTFHBUQNKKKQL-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.04
Rot. Bonds6

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 54855342) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID54855342
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cc(Cl)c(CNCc2cccnc2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-19-14-6-12(13(16)7-15(14)20-2)10-18-9-11-4-3-5-17-8-11/h3-8,18H,9-10H2,1-2H3
InChIKeyKWTFHBUQNKKKQL-UHFFFAOYSA-N
XLogP3.04
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 66531577
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997010
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 90485938
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66530872
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
CID 54855853
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 66531427
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 54855342) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is COc1cc(Cl)c(CNCc2cccnc2)cc1OC.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is KWTFHBUQNKKKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-19-14-6-12(13(16)7-15(14)20-2)10-18-9-11-4-3-5-17-8-11/h3-8,18H,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 292.77 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 54855342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).