(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine

C13H17F2N — CID 107515949

IUPAC(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCc1ccc(C(N)C2CC2(C)C)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-7-4-5-8(11(15)10(7)14)12(16)9-6-13(9,2)3/h4-5,9,12H,6,16H2,1-3H3
InChIKeyZTKIEHCMOARXJP-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.32
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine

(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 107515949) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
PubChem CID107515949
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
SMILESCc1ccc(C(N)C2CC2(C)C)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-7-4-5-8(11(15)10(7)14)12(16)9-6-13(9,2)3/h4-5,9,12H,6,16H2,1-3H3
InChIKeyZTKIEHCMOARXJP-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine 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-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
(2,2-dimethylcyclopropyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130024
(2,2-dimethylcyclopropyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107001453
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
1,4-diazabicyclo[2.2.2]octan-2-yl-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513646
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 107004373
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001430

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine (CID 107515949) is (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine is Cc1ccc(C(N)C2CC2(C)C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is ZTKIEHCMOARXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-7-4-5-8(11(15)10(7)14)12(16)9-6-13(9,2)3/h4-5,9,12H,6,16H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine?
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 225.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 107515949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).