1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine

C14H19F2N — CID 64919026

IUPAC1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H19F2N/c1-3-14(10-4-5-10)17-9(2)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyHAEPIZUCIYYEAP-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine

1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine (PubChem CID 64919026) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
PubChem CID64919026
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H19F2N/c1-3-14(10-4-5-10)17-9(2)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyHAEPIZUCIYYEAP-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-N-[1-(3,4-difluorophenyl)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

1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
4-[1-[1-(3,4-difluorophenyl)ethylamino]propyl]phenol
CID 43680964
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine (CID 64919026) is 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine is CCC(NC(C)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is HAEPIZUCIYYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-3-14(10-4-5-10)17-9(2)11-6-7-12(15)13(16)8-11/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine?
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64919026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).