[1-(3-ethoxyphenoxy)cyclohexyl]methanamine

C15H23NO2 — CID 94689943

IUPAC[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
SMILESCCOc1cccc(OC2(CN)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-13-7-6-8-14(11-13)18-15(12-16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,12,16H2,1H3
InChIKeyLNHMUJOPCBVNNQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds5

About [1-(3-ethoxyphenoxy)cyclohexyl]methanamine

[1-(3-ethoxyphenoxy)cyclohexyl]methanamine (PubChem CID 94689943) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-(3-ethoxyphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
PubChem CID94689943
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
SMILESCCOc1cccc(OC2(CN)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-13-7-6-8-14(11-13)18-15(12-16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,12,16H2,1H3
InChIKeyLNHMUJOPCBVNNQ-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
N-[[1-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199529
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
[1-(3-chlorophenoxy)cyclopentyl]methanol
CID 82128232
N-[(1-aminocyclohexyl)methyl]-3-ethoxybenzenesulfonamide
CID 120998690
1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 67640778

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3-ethoxyphenoxy)cyclohexyl]methanamine (CID 94689943) is [1-(3-ethoxyphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethoxyphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethoxyphenoxy)cyclohexyl]methanamine is CCOc1cccc(OC2(CN)CCCCC2)c1.
What is the InChIKey of [1-(3-ethoxyphenoxy)cyclohexyl]methanamine?
The InChIKey is LNHMUJOPCBVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-13-7-6-8-14(11-13)18-15(12-16)9-4-3-5-10-15/h6-8,11H,2-5,9-10,12,16H2,1H3.
What are the key properties of [1-(3-ethoxyphenoxy)cyclohexyl]methanamine?
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 94689943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).