N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine

C16H24FN — CID 113456650

IUPACN-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FN/c1-12(2)10-18-11-15(14-5-6-14)9-13-3-7-16(17)8-4-13/h3-4,7-8,12,14-15,18H,5-6,9-11H2,1-2H3
InChIKeyVBXGZFIPZWJCBS-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.64
Rot. Bonds7

About N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine

N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 113456650) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID113456650
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H24FN/c1-12(2)10-18-11-15(14-5-6-14)9-13-3-7-16(17)8-4-13/h3-4,7-8,12,14-15,18H,5-6,9-11H2,1-2H3
InChIKeyVBXGZFIPZWJCBS-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-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

2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
[3-cyclopropyl-1-(4-fluorophenyl)butan-2-yl]hydrazine
CID 105283735
2-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 62529651
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine (CID 113456650) is N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is VBXGZFIPZWJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)10-18-11-15(14-5-6-14)9-13-3-7-16(17)8-4-13/h3-4,7-8,12,14-15,18H,5-6,9-11H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine?
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113456650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).