N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine

C14H20FN — CID 104819492

IUPACN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1F)C1CC1
InChIInChI=1S/C14H20FN/c1-2-9-16-10-13(11-7-8-11)12-5-3-4-6-14(12)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyFJAXATZHUCZJDX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds6

About N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 104819492) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID104819492
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1F)C1CC1
InChIInChI=1S/C14H20FN/c1-2-9-16-10-13(11-7-8-11)12-5-3-4-6-14(12)15/h3-6,11,13,16H,2,7-10H2,1H3
InChIKeyFJAXATZHUCZJDX-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-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

N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 104819491
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
N-[2-cyclohexyl-2-(2-fluorophenyl)ethyl]cyclopropanamine
CID 82934224
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
CID 104819486
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 104819492) is N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNCC(c1ccccc1F)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is FJAXATZHUCZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-9-16-10-13(11-7-8-11)12-5-3-4-6-14(12)15/h3-6,11,13,16H,2,7-10H2,1H3.
What are the key properties of N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 104819492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).