N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine

C14H15ClN2O — CID 133378421

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cccc(C)n2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-4-3-5-14(17-10)16-9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyPSUGEPWSHPXQDF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine (PubChem CID 133378421) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
PubChem CID133378421
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cccc(C)n2)cc1Cl
InChIInChI=1S/C14H15ClN2O/c1-10-4-3-5-14(17-10)16-9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyPSUGEPWSHPXQDF-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100066
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 65021658
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine (CID 133378421) is N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine is COc1ccc(CNc2cccc(C)n2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine?
The InChIKey is PSUGEPWSHPXQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-4-3-5-14(17-10)16-9-11-6-7-13(18-2)12(15)8-11/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 133378421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).