3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine

C12H18FN — CID 105449373

IUPAC3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(C)C(F)Cc1ccccc1C
InChIInChI=1S/C12H18FN/c1-9-6-4-5-7-11(9)8-12(13)10(2)14-3/h4-7,10,12,14H,8H2,1-3H3
InChIKeyLPJKWBQDNXQRSF-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.48
Rot. Bonds4

About 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine

3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine (PubChem CID 105449373) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
PubChem CID105449373
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(C)C(F)Cc1ccccc1C
InChIInChI=1S/C12H18FN/c1-9-6-4-5-7-11(9)8-12(13)10(2)14-3/h4-7,10,12,14H,8H2,1-3H3
InChIKeyLPJKWBQDNXQRSF-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N-methyl-4-(2-methylphenyl)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

1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
CID 58933204
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
CID 115713787

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine (CID 105449373) is 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine is CNC(C)C(F)Cc1ccccc1C.
What is the InChIKey of 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine?
The InChIKey is LPJKWBQDNXQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-6-4-5-7-11(9)8-12(13)10(2)14-3/h4-7,10,12,14H,8H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine?
3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 105449373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).