N-(2-ethylcyclohexyl)-4-propan-2-ylaniline

C17H27N — CID 63862131

IUPACN-(2-ethylcyclohexyl)-4-propan-2-ylaniline
SMILESCCC1CCCCC1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-4-14-7-5-6-8-17(14)18-16-11-9-15(10-12-16)13(2)3/h9-14,17-18H,4-8H2,1-3H3
InChIKeyIXFUSXIFZPMPFD-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.19
Rot. Bonds4

About N-(2-ethylcyclohexyl)-4-propan-2-ylaniline

N-(2-ethylcyclohexyl)-4-propan-2-ylaniline (PubChem CID 63862131) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-propan-2-ylaniline
PubChem CID63862131
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2-ethylcyclohexyl)-4-propan-2-ylaniline
SMILESCCC1CCCCC1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N/c1-4-14-7-5-6-8-17(14)18-16-11-9-15(10-12-16)13(2)3/h9-14,17-18H,4-8H2,1-3H3
InChIKeyIXFUSXIFZPMPFD-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
N-[4-[(2-ethylcyclopentyl)amino]phenyl]-2-methylpropanamide
CID 115917194
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
4-chloro-N-(2-ethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63863027
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-propan-2-ylaniline?
The IUPAC name of N-(2-ethylcyclohexyl)-4-propan-2-ylaniline (CID 63862131) is N-(2-ethylcyclohexyl)-4-propan-2-ylaniline.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-propan-2-ylaniline?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-propan-2-ylaniline is CCC1CCCCC1Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-propan-2-ylaniline?
The InChIKey is IXFUSXIFZPMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-7-5-6-8-17(14)18-16-11-9-15(10-12-16)13(2)3/h9-14,17-18H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylcyclohexyl)-4-propan-2-ylaniline?
N-(2-ethylcyclohexyl)-4-propan-2-ylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-propan-2-ylaniline is sourced from PubChem (CID 63862131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).