3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine

C15H18ClN3O — CID 62294086

IUPAC3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-17-9-11-8-14(16)15(18-10-11)19(2)12-4-6-13(20-3)7-5-12/h4-8,10,17H,9H2,1-3H3
InChIKeyRJBGGCRDLKEDLV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.23
Rot. Bonds5

About 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine

3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 62294086) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID62294086
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-17-9-11-8-14(16)15(18-10-11)19(2)12-4-6-13(20-3)7-5-12/h4-8,10,17H,9H2,1-3H3
InChIKeyRJBGGCRDLKEDLV-UHFFFAOYSA-N
XLogP3.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 62293024
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80638739
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297
N-(4-methoxyphenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62293200
3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 63446387
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62985251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine (CID 62294086) is 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is RJBGGCRDLKEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-17-9-11-8-14(16)15(18-10-11)19(2)12-4-6-13(20-3)7-5-12/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62294086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).