N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C16H23F3N2 — CID 63761871

IUPACN'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H23F3N2/c17-16(18,19)14-8-6-13(7-9-14)12-21(11-10-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,20H2
InChIKeyFQWJNTBGGKDGDY-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.80
Rot. Bonds5

About N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 63761871) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID63761871
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccc(C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H23F3N2/c17-16(18,19)14-8-6-13(7-9-14)12-21(11-10-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,20H2
InChIKeyFQWJNTBGGKDGDY-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 102879102

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 63761871) is N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is NCCN(Cc1ccc(C(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is FQWJNTBGGKDGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c17-16(18,19)14-8-6-13(7-9-14)12-21(11-10-20)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,20H2.
What are the key properties of N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 63761871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).