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

C15H21F3N2 — CID 65384743

IUPACN-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10,19H2
InChIKeyIQEJSNRSBLYMRO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.63
Rot. Bonds4

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

N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65384743) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65384743
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10,19H2
InChIKeyIQEJSNRSBLYMRO-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
2-(cyclohexylamino)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 60998379
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382887
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43266992
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65384743) is N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(NC1CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is IQEJSNRSBLYMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-9-5-4-8-12(13)14(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,14,20H,1-3,6-7,10,19H2.
What are the key properties of N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).