[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine

C17H27NO2 — CID 43254199

IUPAC[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
SMILESCC1CCC(OCCCOc2ccccc2CN)CC1
InChIInChI=1S/C17H27NO2/c1-14-7-9-16(10-8-14)19-11-4-12-20-17-6-3-2-5-15(17)13-18/h2-3,5-6,14,16H,4,7-13,18H2,1H3
InChIKeyJMNHHVWJNUJPEC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.51
Rot. Bonds7

About [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine

[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine (PubChem CID 43254199) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
PubChem CID43254199
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
SMILESCC1CCC(OCCCOc2ccccc2CN)CC1
InChIInChI=1S/C17H27NO2/c1-14-7-9-16(10-8-14)19-11-4-12-20-17-6-3-2-5-15(17)13-18/h2-3,5-6,14,16H,4,7-13,18H2,1H3
InChIKeyJMNHHVWJNUJPEC-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.51
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

[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
2-[3-(3,5-dimethylcyclohexyl)oxypropoxy]aniline
CID 64729571
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
2-[3-[2-(aminomethyl)phenoxy]propyl-cyclobutylamino]ethanol
CID 102860726
(2-ethoxyphenyl)methanamine;undecan-1-amine
CID 158338223
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
[2-[3-(3-methylcyclohexyl)sulfinylpropoxy]phenyl]methanamine
CID 81332910
[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254053
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine (CID 43254199) is [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine is CC1CCC(OCCCOc2ccccc2CN)CC1.
What is the InChIKey of [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine?
The InChIKey is JMNHHVWJNUJPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-7-9-16(10-8-14)19-11-4-12-20-17-6-3-2-5-15(17)13-18/h2-3,5-6,14,16H,4,7-13,18H2,1H3.
What are the key properties of [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine?
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine is sourced from PubChem (CID 43254199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).