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

C14H16ClN3O — CID 106819441

IUPAC3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1cc(Cl)ccc1C(N)c1c(C)ccnc1N
InChIInChI=1S/C14H16ClN3O/c1-8-5-6-18-14(17)12(8)13(16)10-4-3-9(15)7-11(10)19-2/h3-7,13H,16H2,1-2H3,(H2,17,18)
InChIKeySUIBDXCWTSIZOH-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.68
Rot. Bonds3

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

3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 106819441) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine
PubChem CID106819441
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1cc(Cl)ccc1C(N)c1c(C)ccnc1N
InChIInChI=1S/C14H16ClN3O/c1-8-5-6-18-14(17)12(8)13(16)10-4-3-9(15)7-11(10)19-2/h3-7,13H,16H2,1-2H3,(H2,17,18)
InChIKeySUIBDXCWTSIZOH-UHFFFAOYSA-N
XLogP2.68
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(5-chloro-2-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 114886010
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
3-(1-amino-2-methoxy-2-methylpropyl)-4-methylpyridin-2-amine
CID 79197414
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine (CID 106819441) is 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine is COc1cc(Cl)ccc1C(N)c1c(C)ccnc1N.
What is the InChIKey of 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is SUIBDXCWTSIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-5-6-18-14(17)12(8)13(16)10-4-3-9(15)7-11(10)19-2/h3-7,13H,16H2,1-2H3,(H2,17,18).
What are the key properties of 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine?
3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-chloro-2-methoxyphenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106819441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).