N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine

C13H18FN — CID 62491870

IUPACN-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C13H18FN/c1-9(2)15-8-10-3-6-13(14)12(7-10)11-4-5-11/h3,6-7,9,11,15H,4-5,8H2,1-2H3
InChIKeyAXBPOIDDBNQORZ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.20
Rot. Bonds4

About N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine

N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine (PubChem CID 62491870) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
PubChem CID62491870
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C13H18FN/c1-9(2)15-8-10-3-6-13(14)12(7-10)11-4-5-11/h3,6-7,9,11,15H,4-5,8H2,1-2H3
InChIKeyAXBPOIDDBNQORZ-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-[(3-cyclopropyl-4-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-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-[(3-ethynyl-4-fluorophenyl)methyl]propan-2-amine
CID 130535101
N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine
CID 88940791
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine (CID 62491870) is N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(F)c(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine?
The InChIKey is AXBPOIDDBNQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)15-8-10-3-6-13(14)12(7-10)11-4-5-11/h3,6-7,9,11,15H,4-5,8H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine?
N-[(3-cyclopropyl-4-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-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 62491870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).