1-(4-methoxy-2-methylphenyl)butan-1-amine

C12H19NO — CID 43198786

IUPAC1-(4-methoxy-2-methylphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C12H19NO/c1-4-5-12(13)11-7-6-10(14-3)8-9(11)2/h6-8,12H,4-5,13H2,1-3H3
InChIKeyBQUXQGXKYMDJPW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)butan-1-amine

1-(4-methoxy-2-methylphenyl)butan-1-amine (PubChem CID 43198786) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)butan-1-amine
PubChem CID43198786
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-methoxy-2-methylphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C12H19NO/c1-4-5-12(13)11-7-6-10(14-3)8-9(11)2/h6-8,12H,4-5,13H2,1-3H3
InChIKeyBQUXQGXKYMDJPW-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 103148893
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)butan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)butan-1-amine (CID 43198786) is 1-(4-methoxy-2-methylphenyl)butan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)butan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)butan-1-amine is CCCC(N)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)butan-1-amine?
The InChIKey is BQUXQGXKYMDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-12(13)11-7-6-10(14-3)8-9(11)2/h6-8,12H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)butan-1-amine?
1-(4-methoxy-2-methylphenyl)butan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)butan-1-amine is sourced from PubChem (CID 43198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).