1-(2-phenoxyethoxymethyl)cyclohexan-1-amine

C15H23NO2 — CID 64573978

IUPAC1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCOc2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO2/c16-15(9-5-2-6-10-15)13-17-11-12-18-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,16H2
InChIKeyYRDZXCIBASHPOW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds6

About 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine

1-(2-phenoxyethoxymethyl)cyclohexan-1-amine (PubChem CID 64573978) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
PubChem CID64573978
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCCOc2ccccc2)CCCCC1
InChIInChI=1S/C15H23NO2/c16-15(9-5-2-6-10-15)13-17-11-12-18-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,16H2
InChIKeyYRDZXCIBASHPOW-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715279
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
CID 65496626
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
2-[(1-aminocyclopentyl)methoxy]phenol
CID 84675228
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
CID 64573522
1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64549560
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine (CID 64573978) is 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine is NC1(COCCOc2ccccc2)CCCCC1.
What is the InChIKey of 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine?
The InChIKey is YRDZXCIBASHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-15(9-5-2-6-10-15)13-17-11-12-18-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,16H2.
What are the key properties of 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine?
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64573978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).