6-[3-(methylaminomethyl)phenoxy]hexan-1-ol

C14H23NO2 — CID 107702363

IUPAC6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cccc(OCCCCCCO)c1
InChIInChI=1S/C14H23NO2/c1-15-12-13-7-6-8-14(11-13)17-10-5-3-2-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyIDEVFTDXIAZCJD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds9

About 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol

6-[3-(methylaminomethyl)phenoxy]hexan-1-ol (PubChem CID 107702363) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
PubChem CID107702363
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cccc(OCCCCCCO)c1
InChIInChI=1S/C14H23NO2/c1-15-12-13-7-6-8-14(11-13)17-10-5-3-2-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyIDEVFTDXIAZCJD-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-methyl-1-[3-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191009
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol (CID 107702363) is 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol is CNCc1cccc(OCCCCCCO)c1.
What is the InChIKey of 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol?
The InChIKey is IDEVFTDXIAZCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-12-13-7-6-8-14(11-13)17-10-5-3-2-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3.
What are the key properties of 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol?
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylaminomethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107702363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).