N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine

C13H18FN — CID 62490162

IUPACN-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C13H18FN/c1-9(2)15-8-12-6-5-11(7-13(12)14)10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyAKRKFLMSOLDRRT-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.20
Rot. Bonds4

About N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine

N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine (PubChem CID 62490162) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
PubChem CID62490162
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C2CC2)cc1F
InChIInChI=1S/C13H18FN/c1-9(2)15-8-12-6-5-11(7-13(12)14)10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyAKRKFLMSOLDRRT-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-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

2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
CID 129135375
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
CID 168922268
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429
(5S)-5-[(4-cyclopropyl-2-fluorophenyl)methylamino]-6,6-dimethylpiperidin-2-one
CID 164636682
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine (CID 62490162) is N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(C2CC2)cc1F.
What is the InChIKey of N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is AKRKFLMSOLDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)15-8-12-6-5-11(7-13(12)14)10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine?
N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 207.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 62490162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).