3-amino-1-(3-octoxyphenyl)propan-1-ol

C17H29NO2 — CID 130373075

IUPAC3-amino-1-(3-octoxyphenyl)propan-1-ol
SMILESCCCCCCCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-13-20-16-10-8-9-15(14-16)17(19)11-12-18/h8-10,14,17,19H,2-7,11-13,18H2,1H3
InChIKeyFDCNLJIJTWPIPP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.81
Rot. Bonds11

About 3-amino-1-(3-octoxyphenyl)propan-1-ol

3-amino-1-(3-octoxyphenyl)propan-1-ol (PubChem CID 130373075) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-amino-1-(3-octoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-octoxyphenyl)propan-1-ol
PubChem CID130373075
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-amino-1-(3-octoxyphenyl)propan-1-ol
SMILESCCCCCCCCOc1cccc(C(O)CCN)c1
InChIInChI=1S/C17H29NO2/c1-2-3-4-5-6-7-13-20-16-10-8-9-15(14-16)17(19)11-12-18/h8-10,14,17,19H,2-7,11-13,18H2,1H3
InChIKeyFDCNLJIJTWPIPP-UHFFFAOYSA-N
XLogP3.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.81
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

1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
CID 170002029
1,3-dihexadecoxybenzene
CID 12686834
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
CID 69117034
CID 69117034
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-octoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-octoxyphenyl)propan-1-ol (CID 130373075) is 3-amino-1-(3-octoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-octoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-octoxyphenyl)propan-1-ol is CCCCCCCCOc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-octoxyphenyl)propan-1-ol?
The InChIKey is FDCNLJIJTWPIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-5-6-7-13-20-16-10-8-9-15(14-16)17(19)11-12-18/h8-10,14,17,19H,2-7,11-13,18H2,1H3.
What are the key properties of 3-amino-1-(3-octoxyphenyl)propan-1-ol?
3-amino-1-(3-octoxyphenyl)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-octoxyphenyl)propan-1-ol is sourced from PubChem (CID 130373075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).