5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine

C16H21N3O — CID 62208653

IUPAC5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN(C)Cc2cccc(OC)c2)cn1
InChIInChI=1S/C16H21N3O/c1-17-16-8-7-14(10-18-16)12-19(2)11-13-5-4-6-15(9-13)20-3/h4-10H,11-12H2,1-3H3,(H,17,18)
InChIKeySUEQSBRHQABRGD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds6

About 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine (PubChem CID 62208653) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
PubChem CID62208653
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CN(C)Cc2cccc(OC)c2)cn1
InChIInChI=1S/C16H21N3O/c1-17-16-8-7-14(10-18-16)12-19(2)11-13-5-4-6-15(9-13)20-3/h4-10H,11-12H2,1-3H3,(H,17,18)
InChIKeySUEQSBRHQABRGD-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55046271
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 55046136
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79763885
5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
1-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 62337350
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
N-[(2-deuterio-3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 101056991

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine (CID 62208653) is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine is CNc1ccc(CN(C)Cc2cccc(OC)c2)cn1.
What is the InChIKey of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The InChIKey is SUEQSBRHQABRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-16-8-7-14(10-18-16)12-19(2)11-13-5-4-6-15(9-13)20-3/h4-10H,11-12H2,1-3H3,(H,17,18).
What are the key properties of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62208653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).