3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine

C11H13F2N — CID 81414919

IUPAC3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-6-8(5-11(6)14)7-2-3-9(12)10(13)4-7/h2-4,6,8,11H,5,14H2,1H3
InChIKeyCOWRULFFWIXQHC-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds1

About 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine

3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine (PubChem CID 81414919) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
PubChem CID81414919
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
SMILESCC1C(N)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-6-8(5-11(6)14)7-2-3-9(12)10(13)4-7/h2-4,6,8,11H,5,14H2,1H3
InChIKeyCOWRULFFWIXQHC-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-difluorophenyl)-2-methylcyclobutan-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

trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
CID 134365408
3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
CID 81415884
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
CID 81415516
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
CID 134359515
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
CID 141470571

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine (CID 81414919) is 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine is CC1C(N)CC1c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine?
The InChIKey is COWRULFFWIXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6-8(5-11(6)14)7-2-3-9(12)10(13)4-7/h2-4,6,8,11H,5,14H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine?
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81414919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).