3-(4-methoxyphenyl)butan-2-amine

C11H17NO — CID 54524041

IUPAC3-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(C)C(C)N)cc1
InChIInChI=1S/C11H17NO/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9H,12H2,1-3H3
InChIKeyYRVZJUUUXSMVNS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds3

About 3-(4-methoxyphenyl)butan-2-amine

3-(4-methoxyphenyl)butan-2-amine (PubChem CID 54524041) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)butan-2-amine
PubChem CID54524041
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(C)C(C)N)cc1
InChIInChI=1S/C11H17NO/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9H,12H2,1-3H3
InChIKeyYRVZJUUUXSMVNS-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
CID 57375944
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 3-(4-methoxyphenyl)butan-2-amine (CID 54524041) is 3-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 3-(4-methoxyphenyl)butan-2-amine is COc1ccc(C(C)C(C)N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)butan-2-amine?
The InChIKey is YRVZJUUUXSMVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9H,12H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)butan-2-amine?
3-(4-methoxyphenyl)butan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 54524041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).