1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol

C15H25NO2 — CID 3242685

IUPAC1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
SMILESCCCC(O)(CCN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-15(17,11-12-16(2)3)13-6-8-14(18-4)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyXRWKTLGPGSHZEC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.63
Rot. Bonds7

About 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol

1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol (PubChem CID 3242685) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
PubChem CID3242685
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
SMILESCCCC(O)(CCN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2/c1-5-10-15(17,11-12-16(2)3)13-6-8-14(18-4)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyXRWKTLGPGSHZEC-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
4-(4-propan-2-yloxyphenyl)heptan-4-ol
CID 114866121
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
3-(3-methoxyphenyl)-1-(methylamino)hexan-3-ol
CID 23459532
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482
1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-bis(4-methoxyphenyl)butan-1-ol
CID 3027738
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
(4R)-4-(4-methoxyphenyl)-4-methylheptan-3-one
CID 139795849
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol?
The IUPAC name of 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol (CID 3242685) is 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol?
The canonical SMILES for 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol is CCCC(O)(CCN(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol?
The InChIKey is XRWKTLGPGSHZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-10-15(17,11-12-16(2)3)13-6-8-14(18-4)9-7-13/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol?
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol is sourced from PubChem (CID 3242685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).