2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine

C13H18FN — CID 115792103

IUPAC2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(c1cccc(F)c1)C(C)C1CC1
InChIInChI=1S/C13H18FN/c1-9(10-6-7-10)13(15-2)11-4-3-5-12(14)8-11/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyVJGKSBMUNCQVRR-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.13
Rot. Bonds4

About 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine

2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 115792103) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID115792103
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(c1cccc(F)c1)C(C)C1CC1
InChIInChI=1S/C13H18FN/c1-9(10-6-7-10)13(15-2)11-4-3-5-12(14)8-11/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyVJGKSBMUNCQVRR-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-1-(3-fluorophenyl)-N-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

1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
2-cyclopropyl-N-methyl-1-(4-phenylphenyl)propan-1-amine
CID 83154674
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine (CID 115792103) is 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine is CNC(c1cccc(F)c1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is VJGKSBMUNCQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(10-6-7-10)13(15-2)11-4-3-5-12(14)8-11/h3-5,8-10,13,15H,6-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine?
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 115792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).