N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine

C15H17ClN2O — CID 103864362

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1cncc(C)c1
InChIInChI=1S/C15H17ClN2O/c1-11-6-12(8-17-7-11)9-18-10-13-14(16)4-3-5-15(13)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyNTNCSCLSAYEZEX-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 103864362) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID103864362
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1cncc(C)c1
InChIInChI=1S/C15H17ClN2O/c1-11-6-12(8-17-7-11)9-18-10-13-14(16)4-3-5-15(13)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyNTNCSCLSAYEZEX-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 115634860
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chloro-6-methoxyphenyl)methanamine
CID 103292258
1-(2-chloro-6-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115634865
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
5-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-2-fluorobenzonitrile
CID 107880592
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine (CID 103864362) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine is COc1cccc(Cl)c1CNCc1cncc(C)c1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is NTNCSCLSAYEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-6-12(8-17-7-11)9-18-10-13-14(16)4-3-5-15(13)19-2/h3-8,18H,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 103864362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).