3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine

C12H18FN — CID 84773685

IUPAC3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
SMILESCc1cc(C(C)CCN)cc(F)c1C
InChIInChI=1S/C12H18FN/c1-8(4-5-14)11-6-9(2)10(3)12(13)7-11/h6-8H,4-5,14H2,1-3H3
InChIKeyRTIXVRYLZRPEDO-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine

3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine (PubChem CID 84773685) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
PubChem CID84773685
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
SMILESCc1cc(C(C)CCN)cc(F)c1C
InChIInChI=1S/C12H18FN/c1-8(4-5-14)11-6-9(2)10(3)12(13)7-11/h6-8H,4-5,14H2,1-3H3
InChIKeyRTIXVRYLZRPEDO-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-fluoro-4,5-dimethylphenyl)butan-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-(4-aminobutan-2-yl)-N,N,2,3-tetramethylaniline
CID 117107326
5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
CID 130837151
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
3-(3-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 117327114
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773925
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
5-[6,6-bis(3,4,5-trimethylphenyl)hexan-2-yl]-1,2,3-trimethylbenzene
CID 59524659

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine?
The IUPAC name of 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine (CID 84773685) is 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine is Cc1cc(C(C)CCN)cc(F)c1C.
What is the InChIKey of 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine?
The InChIKey is RTIXVRYLZRPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(4-5-14)11-6-9(2)10(3)12(13)7-11/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine?
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 84773685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).