5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine

C13H13ClN2O — CID 28548307

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccccc1CNc1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyZWEOXHQUSIEWRC-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine

5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 28548307) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID28548307
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccccc1CNc1ccc(Cl)cn1
InChIInChI=1S/C13H13ClN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyZWEOXHQUSIEWRC-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
5-chloro-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 55068293
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine (CID 28548307) is 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine is COc1ccccc1CNc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is ZWEOXHQUSIEWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-17-12-5-3-2-4-10(12)8-15-13-7-6-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine?
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 248.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 28548307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).