1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C15H20F3N — CID 55201481

IUPAC1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H20F3N/c1-2-19-14(12-7-8-12)9-6-11-4-3-5-13(10-11)15(16,17)18/h3-5,10,12,14,19H,2,6-9H2,1H3
InChIKeyHWICMMARXZUZDG-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.03
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 55201481) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID55201481
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H20F3N/c1-2-19-14(12-7-8-12)9-6-11-4-3-5-13(10-11)15(16,17)18/h3-5,10,12,14,19H,2,6-9H2,1H3
InChIKeyHWICMMARXZUZDG-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]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-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 55201481) is 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is CCNC(CCc1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is HWICMMARXZUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-19-14(12-7-8-12)9-6-11-4-3-5-13(10-11)15(16,17)18/h3-5,10,12,14,19H,2,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 55201481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).