N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H21F3N2 — CID 43266992

IUPACN-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-20(11-6-2-3-7-11)14(10-19)12-8-4-5-9-13(12)15(16,17)18/h4-5,8-9,11,14H,2-3,6-7,10,19H2,1H3
InChIKeyFRSHPQRWAXZBTD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.58
Rot. Bonds4

About N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 43266992) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID43266992
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C1CCCC1)C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-20(11-6-2-3-7-11)14(10-19)12-8-4-5-9-13(12)15(16,17)18/h4-5,8-9,11,14H,2-3,6-7,10,19H2,1H3
InChIKeyFRSHPQRWAXZBTD-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine 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-Methyl-3-phenylpiperazine
CID 2760009
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
1-[2-(Trifluoromethyl)phenethyl]piperazine
CID 3023325
1-(2-Methylbenzyl)piperazine
CID 79212
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
Benzyl[2-(diethylamino)ethyl]amine
CID 296044
1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 762910
1-(1-Phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)piperazine
CID 44414707

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 43266992) is N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(C1CCCC1)C(CN)c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is FRSHPQRWAXZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-20(11-6-2-3-7-11)14(10-19)12-8-4-5-9-13(12)15(16,17)18/h4-5,8-9,11,14H,2-3,6-7,10,19H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43266992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).