4-(3-methoxyphenyl)-3-methylbutan-1-amine

C12H19NO — CID 79002230

IUPAC4-(3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(CC(C)CCN)c1
InChIInChI=1S/C12H19NO/c1-10(6-7-13)8-11-4-3-5-12(9-11)14-2/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeySAKVYFBBCBTBQW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.22
Rot. Bonds5

About 4-(3-methoxyphenyl)-3-methylbutan-1-amine

4-(3-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 79002230) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID79002230
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1cccc(CC(C)CCN)c1
InChIInChI=1S/C12H19NO/c1-10(6-7-13)8-11-4-3-5-12(9-11)14-2/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeySAKVYFBBCBTBQW-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methoxyphenyl)-3-methylbutan-1-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

5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
3-[(3-methoxyphenyl)methylsulfonyl]butan-1-amine
CID 81195040
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)-3-methylbutan-1-amine (CID 79002230) is 4-(3-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-3-methylbutan-1-amine is COc1cccc(CC(C)CCN)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is SAKVYFBBCBTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(6-7-13)8-11-4-3-5-12(9-11)14-2/h3-5,9-10H,6-8,13H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-3-methylbutan-1-amine?
4-(3-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 79002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).