2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline

C16H22F3NO — CID 64754868

IUPAC2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCC(C)Oc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)21-15-6-4-3-5-14(15)20-13-9-7-12(8-10-13)16(17,18)19/h3-6,11-13,20H,7-10H2,1-2H3
InChIKeyBWMKNSJVUHEJCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.01
Rot. Bonds4

About 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline

2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64754868) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64754868
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCC(C)Oc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)21-15-6-4-3-5-14(15)20-13-9-7-12(8-10-13)16(17,18)19/h3-6,11-13,20H,7-10H2,1-2H3
InChIKeyBWMKNSJVUHEJCO-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753632
N-cyclobutyl-5-fluoro-2-propan-2-yloxyaniline
CID 115885041
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64754868) is 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline is CC(C)Oc1ccccc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is BWMKNSJVUHEJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(2)21-15-6-4-3-5-14(15)20-13-9-7-12(8-10-13)16(17,18)19/h3-6,11-13,20H,7-10H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 301.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64754868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).