4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine

C15H23NO2 — CID 19693936

IUPAC4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
SMILESCOCCOc1ccc(C2CCC(N)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-10-11-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11,16H2,1H3
InChIKeyAACKMSARJJUDMJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine

4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine (PubChem CID 19693936) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
PubChem CID19693936
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine
SMILESCOCCOc1ccc(C2CCC(N)CC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-10-11-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11,16H2,1H3
InChIKeyAACKMSARJJUDMJ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 143707745
2-[4-(4-pentylcyclohexyl)phenoxy]ethyl propanoate
CID 166645664
1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene
CID 59498969
2-ethyl-3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-amine
CID 81416133
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
2-(4-cyclohexylphenoxy)ethanamine
CID 542015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine (CID 19693936) is 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine is COCCOc1ccc(C2CCC(N)CC2)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine?
The InChIKey is AACKMSARJJUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-11-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11,16H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine?
4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 19693936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).