3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine

C13H21NO — CID 81016213

IUPAC3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO/c1-10(9-14-3)11(2)12-5-7-13(15-4)8-6-12/h5-8,10-11,14H,9H2,1-4H3
InChIKeyXXOBUYRTJAPHHG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds5

About 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine

3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 81016213) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
PubChem CID81016213
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO/c1-10(9-14-3)11(2)12-5-7-13(15-4)8-6-12/h5-8,10-11,14H,9H2,1-4H3
InChIKeyXXOBUYRTJAPHHG-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
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2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276269
2-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62108025
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409048
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
1-[(1S,2R,3S)-1,2-diethyl-3-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 124824625
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine (CID 81016213) is 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is XXOBUYRTJAPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(9-14-3)11(2)12-5-7-13(15-4)8-6-12/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine?
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 81016213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).