4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine

C17H27N — CID 81015045

IUPAC4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C17H27N/c1-5-14-6-7-17(18)16(10-14)15-9-12(3)11(2)8-13(15)4/h8-9,14,16-17H,5-7,10,18H2,1-4H3
InChIKeyKRBYYJAOQZZGOO-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.23
Rot. Bonds2

About 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine

4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine (PubChem CID 81015045) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
PubChem CID81015045
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C17H27N/c1-5-14-6-7-17(18)16(10-14)15-9-12(3)11(2)8-13(15)4/h8-9,14,16-17H,5-7,10,18H2,1-4H3
InChIKeyKRBYYJAOQZZGOO-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
CID 81014177
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
4-ethyl-2-(3-methyltriazol-4-yl)cyclohexan-1-amine
CID 114691395
2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
CID 114747529
2-(5,6-dimethylbenzimidazol-1-yl)-4-ethylcyclohexan-1-amine
CID 43094518
4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 81014508
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64648048
2-(2,5-dichlorophenyl)-4-propylcyclohexan-1-amine
CID 81014836

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine (CID 81015045) is 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine is CCC1CCC(N)C(c2cc(C)c(C)cc2C)C1.
What is the InChIKey of 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
The InChIKey is KRBYYJAOQZZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-14-6-7-17(18)16(10-14)15-9-12(3)11(2)8-13(15)4/h8-9,14,16-17H,5-7,10,18H2,1-4H3.
What are the key properties of 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine?
4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 81015045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).