N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine

C19H31NO — CID 63475434

IUPACN-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Oc1cccc(CC)c1
InChIInChI=1S/C19H31NO/c1-5-15-8-7-9-17(12-15)21-19-13-16(14(3)4)10-11-18(19)20-6-2/h7-9,12,14,16,18-20H,5-6,10-11,13H2,1-4H3
InChIKeyRFEAJAUGZHZKGA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds6

About N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63475434) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63475434
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Oc1cccc(CC)c1
InChIInChI=1S/C19H31NO/c1-5-15-8-7-9-17(12-15)21-19-13-16(14(3)4)10-11-18(19)20-6-2/h7-9,12,14,16,18-20H,5-6,10-11,13H2,1-4H3
InChIKeyRFEAJAUGZHZKGA-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204
2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63500205
4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine
CID 63473488
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
CID 63474712
2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107168892
(3-ethylphenoxy)cyclooctane
CID 91220327
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine (CID 63475434) is N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1Oc1cccc(CC)c1.
What is the InChIKey of N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is RFEAJAUGZHZKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-15-8-7-9-17(12-15)21-19-13-16(14(3)4)10-11-18(19)20-6-2/h7-9,12,14,16,18-20H,5-6,10-11,13H2,1-4H3.
What are the key properties of N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63475434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).