3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine

C17H23N3O — CID 61419922

IUPAC3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(C)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)19-17(16(12)10-18)20(3)11-14-5-7-15(21-4)8-6-14/h5-9H,10-11,18H2,1-4H3
InChIKeyQVINCUYFMUABFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.80
Rot. Bonds5

About 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine

3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine (PubChem CID 61419922) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
PubChem CID61419922
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2nc(C)cc(C)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)19-17(16(12)10-18)20(3)11-14-5-7-15(21-4)8-6-14/h5-9H,10-11,18H2,1-4H3
InChIKeyQVINCUYFMUABFS-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61417707
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946
3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
CID 62983904
3-(aminomethyl)-N,4,6-trimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 65484864
3-(aminomethyl)-N,4,6-trimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 61426321
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61175356
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine (CID 61419922) is 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine is COc1ccc(CN(C)c2nc(C)cc(C)c2CN)cc1.
What is the InChIKey of 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine?
The InChIKey is QVINCUYFMUABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-13(2)19-17(16(12)10-18)20(3)11-14-5-7-15(21-4)8-6-14/h5-9H,10-11,18H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine?
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine is sourced from PubChem (CID 61419922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).