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

C15H25NO2 — CID 82073798

IUPAC1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-5-12-18-14-8-6-13(7-9-14)15(17)10-11-16(2)3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyHDGUOJJCKLEEQE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds8

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

1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 82073798) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID82073798
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-4-5-12-18-14-8-6-13(7-9-14)15(17)10-11-16(2)3/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyHDGUOJJCKLEEQE-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073821
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
3-(diethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073822
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
4-[3-(dimethylamino)-1-hydroxypropyl]benzonitrile
CID 19025856
1-(4-butoxyphenyl)pent-3-yn-1-ol
CID 105082482
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 82073798) is 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol is CCCCOc1ccc(C(O)CCN(C)C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is HDGUOJJCKLEEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-12-18-14-8-6-13(7-9-14)15(17)10-11-16(2)3/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol?
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 82073798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).