4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

C16H21ClF3N — CID 63423296

IUPAC4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21ClF3N/c1-10(2)11-3-5-12(6-4-11)21-13-7-8-15(17)14(9-13)16(18,19)20/h7-12,21H,3-6H2,1-2H3
InChIKeyFWUBLKZMJOQEBG-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.99
Rot. Bonds3

About 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline

4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 63423296) has the molecular formula C16H21ClF3N and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID63423296
Molecular FormulaC16H21ClF3N
Molecular Weight319.80 g/mol
Exact Mass319.13
IUPAC Name4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H21ClF3N/c1-10(2)11-3-5-12(6-4-11)21-13-7-8-15(17)14(9-13)16(18,19)20/h7-12,21H,3-6H2,1-2H3
InChIKeyFWUBLKZMJOQEBG-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423523
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43132893
4-chloro-N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64731814
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399
N-[4-chloro-3-(trifluoromethyl)phenyl]thian-3-amine
CID 55129445
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 82864304
2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
CID 107679381
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
N-(4-propan-2-ylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 63422574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline (CID 63423296) is 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is CC(C)C1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is FWUBLKZMJOQEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N/c1-10(2)11-3-5-12(6-4-11)21-13-7-8-15(17)14(9-13)16(18,19)20/h7-12,21H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 319.80 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63423296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).