N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline

C16H22F3NO — CID 107447794

IUPACN-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3
InChIKeyNSQDFHVCJOFCFU-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.21
Rot. Bonds4

About N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline

N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline (PubChem CID 107447794) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
PubChem CID107447794
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3
InChIKeyNSQDFHVCJOFCFU-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 112573160
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline (CID 107447794) is N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline is CC(C)C1CCCC(Nc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline?
The InChIKey is NSQDFHVCJOFCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(2)12-6-5-7-13(10-12)20-14-8-3-4-9-15(14)21-16(17,18)19/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline?
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline has a molecular weight of 301.35 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 107447794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).