2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H31NO — CID 43111213

IUPAC2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCc1cccc(OC2CC(C(C)(C)CC)CCC2N)c1
InChIInChI=1S/C19H31NO/c1-5-14-8-7-9-16(12-14)21-18-13-15(10-11-17(18)20)19(3,4)6-2/h7-9,12,15,17-18H,5-6,10-11,13,20H2,1-4H3
InChIKeyABFCCTMAFNBVFL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.56
Rot. Bonds5

About 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43111213) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43111213
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCc1cccc(OC2CC(C(C)(C)CC)CCC2N)c1
InChIInChI=1S/C19H31NO/c1-5-14-8-7-9-16(12-14)21-18-13-15(10-11-17(18)20)19(3,4)6-2/h7-9,12,15,17-18H,5-6,10-11,13,20H2,1-4H3
InChIKeyABFCCTMAFNBVFL-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine
CID 63473488
4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
CID 43097367
N-methyl-4-(2-methylbutan-2-yl)-2-(3-methylphenoxy)cyclohexan-1-amine
CID 63474175
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
CID 66358408
(3-ethylphenoxy)cyclooctane
CID 91220327
2-(4-methoxyphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63471772
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
3-[3-(methoxymethyl)phenoxy]oxan-4-amine
CID 63985960

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43111213) is 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCc1cccc(OC2CC(C(C)(C)CC)CCC2N)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is ABFCCTMAFNBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-14-8-7-9-16(12-14)21-18-13-15(10-11-17(18)20)19(3,4)6-2/h7-9,12,15,17-18H,5-6,10-11,13,20H2,1-4H3.
What are the key properties of 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43111213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).