[3-(3-cyclohexyloxypropoxy)phenyl]methanamine

C16H25NO2 — CID 43253956

IUPAC[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCOC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c17-13-14-6-4-9-16(12-14)19-11-5-10-18-15-7-2-1-3-8-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13,17H2
InChIKeyPIVHTTMLZYUKLR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds7

About [3-(3-cyclohexyloxypropoxy)phenyl]methanamine

[3-(3-cyclohexyloxypropoxy)phenyl]methanamine (PubChem CID 43253956) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-(3-cyclohexyloxypropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
PubChem CID43253956
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
SMILESNCc1cccc(OCCCOC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c17-13-14-6-4-9-16(12-14)19-11-5-10-18-15-7-2-1-3-8-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13,17H2
InChIKeyPIVHTTMLZYUKLR-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 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 ≤ 53.26
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

[3-[3-(3,4-dimethylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 64744334
[3-[2-(4,4-dimethylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 114340709
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
3-(3-cyclopentyloxypropoxy)benzonitrile
CID 43289282
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-(3-cyclopentylsulfonylpropoxy)phenyl]methanamine
CID 64696416
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116
[3-(2-cyclopentylsulfonylethoxy)phenyl]methanamine
CID 64696203
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclohexyloxypropoxy)phenyl]methanamine?
The IUPAC name of [3-(3-cyclohexyloxypropoxy)phenyl]methanamine (CID 43253956) is [3-(3-cyclohexyloxypropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-cyclohexyloxypropoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-cyclohexyloxypropoxy)phenyl]methanamine is NCc1cccc(OCCCOC2CCCCC2)c1.
What is the InChIKey of [3-(3-cyclohexyloxypropoxy)phenyl]methanamine?
The InChIKey is PIVHTTMLZYUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c17-13-14-6-4-9-16(12-14)19-11-5-10-18-15-7-2-1-3-8-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13,17H2.
What are the key properties of [3-(3-cyclohexyloxypropoxy)phenyl]methanamine?
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclohexyloxypropoxy)phenyl]methanamine is sourced from PubChem (CID 43253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).