[3-(aminomethyl)phenyl]-propoxymethanol

C11H17NO2 — CID 143382418

IUPAC[3-(aminomethyl)phenyl]-propoxymethanol
SMILESCCCOC(O)c1cccc(CN)c1
InChIInChI=1S/C11H17NO2/c1-2-6-14-11(13)10-5-3-4-9(7-10)8-12/h3-5,7,11,13H,2,6,8,12H2,1H3
InChIKeyFUVMHHPMDQSTCH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.56
Rot. Bonds5

About [3-(aminomethyl)phenyl]-propoxymethanol

[3-(aminomethyl)phenyl]-propoxymethanol (PubChem CID 143382418) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-propoxymethanol.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-propoxymethanol
PubChem CID143382418
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[3-(aminomethyl)phenyl]-propoxymethanol
SMILESCCCOC(O)c1cccc(CN)c1
InChIInChI=1S/C11H17NO2/c1-2-6-14-11(13)10-5-3-4-9(7-10)8-12/h3-5,7,11,13H,2,6,8,12H2,1H3
InChIKeyFUVMHHPMDQSTCH-UHFFFAOYSA-N
XLogP1.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
(3-propan-2-ylphenyl)methanamine
CID 21085835
(3-octan-4-ylphenyl)methanamine
CID 142098371
ethyl 2-[3-(aminomethyl)phenyl]-3-oxopropanoate
CID 174354792
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
(4-methylphenyl)-propoxymethanol
CID 142200249
octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
1-[3-(aminomethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171873821
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 116907106

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-propoxymethanol?
The IUPAC name of [3-(aminomethyl)phenyl]-propoxymethanol (CID 143382418) is [3-(aminomethyl)phenyl]-propoxymethanol.
What is the SMILES notation for [3-(aminomethyl)phenyl]-propoxymethanol?
The canonical SMILES for [3-(aminomethyl)phenyl]-propoxymethanol is CCCOC(O)c1cccc(CN)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-propoxymethanol?
The InChIKey is FUVMHHPMDQSTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-6-14-11(13)10-5-3-4-9(7-10)8-12/h3-5,7,11,13H,2,6,8,12H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-propoxymethanol?
[3-(aminomethyl)phenyl]-propoxymethanol has a molecular weight of 195.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-propoxymethanol is sourced from PubChem (CID 143382418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).