2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine

C13H20FN — CID 107443570

IUPAC2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCc1ccccc1C(F)C(CN)C(C)C
InChIInChI=1S/C13H20FN/c1-9(2)12(8-15)13(14)11-7-5-4-6-10(11)3/h4-7,9,12-13H,8,15H2,1-3H3
InChIKeyGQXXJYKQDYYYAB-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.24
Rot. Bonds4

About 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine

2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 107443570) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID107443570
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCc1ccccc1C(F)C(CN)C(C)C
InChIInChI=1S/C13H20FN/c1-9(2)12(8-15)13(14)11-7-5-4-6-10(11)3/h4-7,9,12-13H,8,15H2,1-3H3
InChIKeyGQXXJYKQDYYYAB-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[fluoro-(2-methylphenyl)methyl]-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

3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
CID 107443651
2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443551
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
2-[2-(1-fluoro-2-methylpropyl)phenyl]ethanamine
CID 115020375
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine (CID 107443570) is 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine is Cc1ccccc1C(F)C(CN)C(C)C.
What is the InChIKey of 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is GQXXJYKQDYYYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(2)12(8-15)13(14)11-7-5-4-6-10(11)3/h4-7,9,12-13H,8,15H2,1-3H3.
What are the key properties of 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine?
2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).