N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

C16H21N3O — CID 62294438

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O/c1-17-11-14-5-4-10-18-16(14)19(2)12-13-6-8-15(20-3)9-7-13/h4-10,17H,11-12H2,1-3H3
InChIKeyMSBBGGSWHPBBTB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.45
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine

N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62294438) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62294438
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O/c1-17-11-14-5-4-10-18-16(14)19(2)12-13-6-8-15(20-3)9-7-13/h4-10,17H,11-12H2,1-3H3
InChIKeyMSBBGGSWHPBBTB-UHFFFAOYSA-N
XLogP2.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282140
N-methyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282278
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine (CID 62294438) is N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is CNCc1cccnc1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is MSBBGGSWHPBBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-11-14-5-4-10-18-16(14)19(2)12-13-6-8-15(20-3)9-7-13/h4-10,17H,11-12H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62294438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).