5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine

C15H17ClN2O2 — CID 171324276

IUPAC5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-18(15-7-5-12(16)9-17-15)10-11-4-6-13(19-2)14(8-11)20-3/h4-9H,10H2,1-3H3
InChIKeyKRYKKFBUNVANQM-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.39
Rot. Bonds5

About 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 171324276) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID171324276
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-18(15-7-5-12(16)9-17-15)10-11-4-6-13(19-2)14(8-11)20-3/h4-9H,10H2,1-3H3
InChIKeyKRYKKFBUNVANQM-UHFFFAOYSA-N
XLogP3.39
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
CID 96998475
2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 171324251
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171324265
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147433
N-[(3,4-dimethoxyphenyl)methyl]-N,4,6,8-tetramethylquinolin-2-amine
CID 8934386
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 31920963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 171324276) is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccc(CN(C)c2ccc(Cl)cn2)cc1OC.
What is the InChIKey of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is KRYKKFBUNVANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(15-7-5-12(16)9-17-15)10-11-4-6-13(19-2)14(8-11)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine?
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 171324276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).