N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine

C18H29NO — CID 63862380

IUPACN-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)C1CCCCC1CC
InChIInChI=1S/C18H29NO/c1-3-15-10-8-9-13-17(15)18(19-4-2)14-20-16-11-6-5-7-12-16/h5-7,11-12,15,17-19H,3-4,8-10,13-14H2,1-2H3
InChIKeyKCDQZQRFHOIHEC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.26
Rot. Bonds7

About N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine

N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine (PubChem CID 63862380) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
PubChem CID63862380
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)C1CCCCC1CC
InChIInChI=1S/C18H29NO/c1-3-15-10-8-9-13-17(15)18(19-4-2)14-20-16-11-6-5-7-12-16/h5-7,11-12,15,17-19H,3-4,8-10,13-14H2,1-2H3
InChIKeyKCDQZQRFHOIHEC-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861481
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
CID 115862425
N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63862736
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133118
N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine?
The IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine (CID 63862380) is N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine is CCNC(COc1ccccc1)C1CCCCC1CC.
What is the InChIKey of N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine?
The InChIKey is KCDQZQRFHOIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-15-10-8-9-13-17(15)18(19-4-2)14-20-16-11-6-5-7-12-16/h5-7,11-12,15,17-19H,3-4,8-10,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine?
N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine is sourced from PubChem (CID 63862380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).