3-[3-(methylaminomethyl)phenoxy]propan-1-ol

C11H17NO2 — CID 57355503

IUPAC3-[3-(methylaminomethyl)phenoxy]propan-1-ol
SMILESCNCc1cccc(OCCCO)c1
InChIInChI=1S/C11H17NO2/c1-12-9-10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyNMCFGZGUFQMOPQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.17
Rot. Bonds6

About 3-[3-(methylaminomethyl)phenoxy]propan-1-ol

3-[3-(methylaminomethyl)phenoxy]propan-1-ol (PubChem CID 57355503) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)phenoxy]propan-1-ol
PubChem CID57355503
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[3-(methylaminomethyl)phenoxy]propan-1-ol
SMILESCNCc1cccc(OCCCO)c1
InChIInChI=1S/C11H17NO2/c1-12-9-10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8,12-13H,3,6-7,9H2,1H3
InChIKeyNMCFGZGUFQMOPQ-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.17
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

6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
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
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
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
CID 21294580
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(methylaminomethyl)phenoxy]propan-1-ol (CID 57355503) is 3-[3-(methylaminomethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(methylaminomethyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(methylaminomethyl)phenoxy]propan-1-ol is CNCc1cccc(OCCCO)c1.
What is the InChIKey of 3-[3-(methylaminomethyl)phenoxy]propan-1-ol?
The InChIKey is NMCFGZGUFQMOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-9-10-4-2-5-11(8-10)14-7-3-6-13/h2,4-5,8,12-13H,3,6-7,9H2,1H3.
What are the key properties of 3-[3-(methylaminomethyl)phenoxy]propan-1-ol?
3-[3-(methylaminomethyl)phenoxy]propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 57355503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).