3-amino-3-(4-decoxyphenyl)propan-1-ol

C19H33NO2 — CID 170874519

IUPAC3-amino-3-(4-decoxyphenyl)propan-1-ol
SMILESCCCCCCCCCCOc1ccc(C(N)CCO)cc1
InChIInChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-16-22-18-12-10-17(11-13-18)19(20)14-15-21/h10-13,19,21H,2-9,14-16,20H2,1H3
InChIKeyXQBIWBNEGTVAGU-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.59
Rot. Bonds13

About 3-amino-3-(4-decoxyphenyl)propan-1-ol

3-amino-3-(4-decoxyphenyl)propan-1-ol (PubChem CID 170874519) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-amino-3-(4-decoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-decoxyphenyl)propan-1-ol
PubChem CID170874519
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-amino-3-(4-decoxyphenyl)propan-1-ol
SMILESCCCCCCCCCCOc1ccc(C(N)CCO)cc1
InChIInChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-16-22-18-12-10-17(11-13-18)19(20)14-15-21/h10-13,19,21H,2-9,14-16,20H2,1H3
InChIKeyXQBIWBNEGTVAGU-UHFFFAOYSA-N
XLogP4.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.59
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

(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
bis(4-octoxyphenyl)methanol
CID 139262063
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-decoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-decoxyphenyl)propan-1-ol (CID 170874519) is 3-amino-3-(4-decoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-decoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-decoxyphenyl)propan-1-ol is CCCCCCCCCCOc1ccc(C(N)CCO)cc1.
What is the InChIKey of 3-amino-3-(4-decoxyphenyl)propan-1-ol?
The InChIKey is XQBIWBNEGTVAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-9-16-22-18-12-10-17(11-13-18)19(20)14-15-21/h10-13,19,21H,2-9,14-16,20H2,1H3.
What are the key properties of 3-amino-3-(4-decoxyphenyl)propan-1-ol?
3-amino-3-(4-decoxyphenyl)propan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 4.59, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-decoxyphenyl)propan-1-ol is sourced from PubChem (CID 170874519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).