N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine

C18H29NO — CID 63863196

IUPACN-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCNC(C)c1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C18H29NO/c1-4-15-9-6-7-12-18(15)20-17-11-8-10-16(13-17)14(3)19-5-2/h8,10-11,13-15,18-19H,4-7,9,12H2,1-3H3
InChIKeyBAEPQWXZPOHIMA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine

N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 63863196) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID63863196
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine
SMILESCCNC(C)c1cccc(OC2CCCCC2CC)c1
InChIInChI=1S/C18H29NO/c1-4-15-9-6-7-12-18(15)20-17-11-8-10-16(13-17)14(3)19-5-2/h8,10-11,13-15,18-19H,4-7,9,12H2,1-3H3
InChIKeyBAEPQWXZPOHIMA-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
2-[3-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 60881566
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
[3-(2-ethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 63862168
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
N-[[4-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290861
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine (CID 63863196) is N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine is CCNC(C)c1cccc(OC2CCCCC2CC)c1.
What is the InChIKey of N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is BAEPQWXZPOHIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-9-6-7-12-18(15)20-17-11-8-10-16(13-17)14(3)19-5-2/h8,10-11,13-15,18-19H,4-7,9,12H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine?
N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-ethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 63863196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).