4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine

C17H27NO — CID 81014508

IUPAC4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-13-8-9-17(18)16(10-13)14-6-5-7-15(11-14)19-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3
InChIKeyLOISHNFRHMNWDA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds4

About 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine

4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine (PubChem CID 81014508) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
PubChem CID81014508
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C17H27NO/c1-4-13-8-9-17(18)16(10-13)14-6-5-7-15(11-14)19-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3
InChIKeyLOISHNFRHMNWDA-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
CID 81014177
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
CID 79320306
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
CID 81010427
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 114487125
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine (CID 81014508) is 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine is CCC1CCC(N)C(c2cccc(OC(C)C)c2)C1.
What is the InChIKey of 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
The InChIKey is LOISHNFRHMNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13-8-9-17(18)16(10-13)14-6-5-7-15(11-14)19-12(2)3/h5-7,11-13,16-17H,4,8-10,18H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine?
4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 81014508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).