N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline

C16H22F3N — CID 63455763

IUPACN-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N/c1-3-12-5-8-13(9-6-12)20-14-7-4-11(2)15(10-14)16(17,18)19/h4,7,10,12-13,20H,3,5-6,8-9H2,1-2H3
InChIKeyRNLPINVYIKNQRL-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.39
Rot. Bonds3

About N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline

N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline (PubChem CID 63455763) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
PubChem CID63455763
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N/c1-3-12-5-8-13(9-6-12)20-14-7-4-11(2)15(10-14)16(17,18)19/h4,7,10,12-13,20H,3,5-6,8-9H2,1-2H3
InChIKeyRNLPINVYIKNQRL-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline (CID 63455763) is N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline is CCC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is RNLPINVYIKNQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-12-5-8-13(9-6-12)20-14-7-4-11(2)15(10-14)16(17,18)19/h4,7,10,12-13,20H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline?
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 285.35 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).