N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C14H19F3N2O — CID 65385001

IUPACN-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-18)19-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9,18H2
InChIKeyKCFWSZMKWATHEQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 65385001) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID65385001
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-18)19-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9,18H2
InChIKeyKCFWSZMKWATHEQ-UHFFFAOYSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 65385001) is N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is NCC(NC1CCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is KCFWSZMKWATHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-18)19-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9,18H2.
What are the key properties of N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 288.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65385001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).