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

C16H22F3NO — CID 64758678

IUPAC4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCC(C)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-11(2)21-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16(17,18)19/h7-11,14-15,20H,3-6H2,1-2H3
InChIKeyWAKMUWGWHJQSQZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.01
Rot. Bonds4

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

4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758678) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758678
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCC(C)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-11(2)21-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16(17,18)19/h7-11,14-15,20H,3-6H2,1-2H3
InChIKeyWAKMUWGWHJQSQZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758057
N-(4-propan-2-yloxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43772970
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046803
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
4-bromo-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 82857596
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
N-(3-methoxycyclobutyl)-4-propan-2-yloxyaniline
CID 104870363
3-bromo-4-fluoro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 104775706
N-methyl-4-propan-2-yloxyaniline
CID 18002910
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64758678) is 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is CC(C)Oc1ccc(NC2CCCCC2C(F)(F)F)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is WAKMUWGWHJQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(2)21-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)16(17,18)19/h7-11,14-15,20H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline?
4-propan-2-yloxy-N-[2-(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 4-propan-2-yloxy-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).