1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine

C16H25NO2 — CID 55073152

IUPAC1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOC2CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3
InChIKeyREAWCLFRULZFOA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

About 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine

1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 55073152) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
PubChem CID55073152
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOC2CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3
InChIKeyREAWCLFRULZFOA-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
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

N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 66324411
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
CID 63825153
1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine (CID 55073152) is 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCCOC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is REAWCLFRULZFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17-13-14-7-9-16(10-8-14)19-12-11-18-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3.
What are the key properties of 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine?
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 55073152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).