4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline

C16H19BrF3N — CID 64595837

IUPAC4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC2CCCC(C3CC3)C2)ccc1Br
InChIInChI=1S/C16H19BrF3N/c17-15-7-6-13(9-14(15)16(18,19)20)21-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,21H,1-5,8H2
InChIKeyUVWDGMSPKJQOTI-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.85
Rot. Bonds3

About 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline

4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 64595837) has the molecular formula C16H19BrF3N and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID64595837
Molecular FormulaC16H19BrF3N
Molecular Weight362.23 g/mol
Exact Mass361.07
IUPAC Name4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC2CCCC(C3CC3)C2)ccc1Br
InChIInChI=1S/C16H19BrF3N/c17-15-7-6-13(9-14(15)16(18,19)20)21-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,21H,1-5,8H2
InChIKeyUVWDGMSPKJQOTI-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
N-[4-bromo-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081576
4-bromo-N-(3-cyclopropylcyclohexyl)-3-nitroaniline
CID 79754151
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43680385
4-bromo-N-cyclohex-2-en-1-yl-3-(trifluoromethyl)aniline
CID 107907073
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
2-[4-bromo-3-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103254014
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline (CID 64595837) is 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NC2CCCC(C3CC3)C2)ccc1Br.
What is the InChIKey of 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is UVWDGMSPKJQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF3N/c17-15-7-6-13(9-14(15)16(18,19)20)21-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,21H,1-5,8H2.
What are the key properties of 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline?
4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 362.23 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 64595837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).