3-(3-amino-5-methoxyphenyl)propan-1-ol

C10H15NO2 — CID 135019710

IUPAC3-(3-amino-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(N)cc(CCCO)c1
InChIInChI=1S/C10H15NO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4,11H2,1H3
InChIKeyKFCFYJMDIADTAO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.20
Rot. Bonds4

About 3-(3-amino-5-methoxyphenyl)propan-1-ol

3-(3-amino-5-methoxyphenyl)propan-1-ol (PubChem CID 135019710) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(3-amino-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-amino-5-methoxyphenyl)propan-1-ol
PubChem CID135019710
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(3-amino-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(N)cc(CCCO)c1
InChIInChI=1S/C10H15NO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4,11H2,1H3
InChIKeyKFCFYJMDIADTAO-UHFFFAOYSA-N
XLogP1.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-amino-5-methoxyphenyl)propan-1-ol (CID 135019710) is 3-(3-amino-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-amino-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-amino-5-methoxyphenyl)propan-1-ol is COc1cc(N)cc(CCCO)c1.
What is the InChIKey of 3-(3-amino-5-methoxyphenyl)propan-1-ol?
The InChIKey is KFCFYJMDIADTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4,11H2,1H3.
What are the key properties of 3-(3-amino-5-methoxyphenyl)propan-1-ol?
3-(3-amino-5-methoxyphenyl)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 135019710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).