N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine

C15H22FN — CID 113456690

IUPACN-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeyIFAYKNGPGVFWNP-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.71
Rot. Bonds4

About N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine

N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 113456690) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID113456690
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FN/c1-15(2,3)17-10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeyIFAYKNGPGVFWNP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 104819457
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 79431591
N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
CID 82936677
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 79430969
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
N-[2-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 79433164
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine (CID 113456690) is N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is IFAYKNGPGVFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)17-10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine?
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113456690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).