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

C15H21F3N2O — CID 65384955

IUPACN-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)21-14-9-5-4-8-12(14)13(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,13,20H,1-3,6-7,10,19H2
InChIKeyOLEXCUZRHSTUSB-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.51
Rot. Bonds5

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

N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 65384955) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID65384955
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)21-14-9-5-4-8-12(14)13(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,13,20H,1-3,6-7,10,19H2
InChIKeyOLEXCUZRHSTUSB-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 61001989
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetic acid
CID 60997656
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382887
2-(cyclopentylamino)-2-[2-(difluoromethoxy)phenyl]ethanol
CID 61053945

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 65384955) is N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is NCC(NC1CCCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is OLEXCUZRHSTUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)21-14-9-5-4-8-12(14)13(10-19)20-11-6-2-1-3-7-11/h4-5,8-9,11,13,20H,1-3,6-7,10,19H2.
What are the key properties of N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65384955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).