2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine

C12H18FNO — CID 107128253

IUPAC2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(8-11(9)13)12(2,14)6-7-15-3/h4-5,8H,6-7,14H2,1-3H3
InChIKeyASMPDRXMZVJWSQ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine

2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine (PubChem CID 107128253) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
PubChem CID107128253
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)(N)c1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(8-11(9)13)12(2,14)6-7-15-3/h4-5,8H,6-7,14H2,1-3H3
InChIKeyASMPDRXMZVJWSQ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-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

2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115002182
4-methoxy-2-(5-methylthiophen-3-yl)butan-2-amine
CID 65100154
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
CID 20705742
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628810
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
4-methoxy-2-(4-methoxy-2-methylphenyl)butan-2-amine
CID 65313648
4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
CID 126491653

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine (CID 107128253) is 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine is COCCC(C)(N)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine?
The InChIKey is ASMPDRXMZVJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-4-5-10(8-11(9)13)12(2,14)6-7-15-3/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine?
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 107128253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).