3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol

C17H29NO2 — CID 82073821

IUPAC3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
SMILESCCCCCCOc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-14-20-16-10-8-15(9-11-16)17(19)12-13-18(2)3/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyCVOJHPMTQATUEH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.63
Rot. Bonds10

About 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol

3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol (PubChem CID 82073821) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
PubChem CID82073821
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
SMILESCCCCCCOc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-4-5-6-7-14-20-16-10-8-15(9-11-16)17(19)12-13-18(2)3/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyCVOJHPMTQATUEH-UHFFFAOYSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073822
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
bis(4-octoxyphenyl)methanol
CID 139262063
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol (CID 82073821) is 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol is CCCCCCOc1ccc(C(O)CCN(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
The InChIKey is CVOJHPMTQATUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-6-7-14-20-16-10-8-15(9-11-16)17(19)12-13-18(2)3/h8-11,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol?
3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).