2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline

C16H22F3N — CID 64753632

IUPAC2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCCCc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N/c1-2-5-12-6-3-4-7-15(12)20-14-10-8-13(9-11-14)16(17,18)19/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3
InChIKeyJEYTUNICXGZHCY-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.17
Rot. Bonds4

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

2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64753632) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64753632
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCCCc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N/c1-2-5-12-6-3-4-7-15(12)20-14-10-8-13(9-11-14)16(17,18)19/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3
InChIKeyJEYTUNICXGZHCY-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
N-(2-propylphenyl)piperidin-4-amine
CID 61016872
N-(2-propylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43687471
4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
CID 65084187
1-propan-2-yl-N-(2-propylphenyl)piperidin-4-amine
CID 43687285
2-(2-aminoethyl)-N-cyclopropylaniline
CID 83816645
N-(2-propylphenyl)thian-3-amine
CID 62871075
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754868
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
CID 4711830
N-[3-(2-methylphenyl)cyclobutyl]-2-propylaniline
CID 43687449
2-(chloromethyl)-N-cyclopropylaniline
CID 175153932

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64753632) is 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is CCCc1ccccc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is JEYTUNICXGZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-5-12-6-3-4-7-15(12)20-14-10-8-13(9-11-14)16(17,18)19/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3.
What are the key properties of 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 285.35 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).