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

C13H21NO — CID 115785901

IUPAC1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCOc1cccc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13H,14H2,1-4H3
InChIKeyKPDNXYKYQGPXPZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.99
Rot. Bonds4

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

1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine (PubChem CID 115785901) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
PubChem CID115785901
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
SMILESCOc1cccc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C13H21NO/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13H,14H2,1-4H3
InChIKeyKPDNXYKYQGPXPZ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-[amino-(3-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946402
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
4-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450757
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine (CID 115785901) is 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine is COc1cccc(C(N)C(C)C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is KPDNXYKYQGPXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10(3)13(14)11-6-5-7-12(8-11)15-4/h5-10,13H,14H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine?
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115785901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).