N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C16H22F3NO — CID 114981675

IUPACN-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H22F3NO/c1-2-20-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)21-16(17,18)19/h8-12,15,20H,2-7H2,1H3
InChIKeyCQJUGJJGRVZBFO-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.82
Rot. Bonds5

About N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 114981675) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID114981675
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C16H22F3NO/c1-2-20-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)21-16(17,18)19/h8-12,15,20H,2-7H2,1H3
InChIKeyCQJUGJJGRVZBFO-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cycloheptyl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 105027812
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 114981675) is N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1ccc(OC(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is CQJUGJJGRVZBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-20-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)21-16(17,18)19/h8-12,15,20H,2-7H2,1H3.
What are the key properties of N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 301.35 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114981675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).