1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol

C18H31NO2 — CID 143436488

IUPAC1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol
SMILESCCCCC(O)(CC)C(CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-6-8-13-18(20,7-2)17(14-19(3)4)15-9-11-16(21-5)12-10-15/h9-12,17,20H,6-8,13-14H2,1-5H3
InChIKeyXXKMRSKJGCXSPW-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.67
Rot. Bonds9

About 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol

1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol (PubChem CID 143436488) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol
PubChem CID143436488
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol
SMILESCCCCC(O)(CC)C(CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO2/c1-6-8-13-18(20,7-2)17(14-19(3)4)15-9-11-16(21-5)12-10-15/h9-12,17,20H,6-8,13-14H2,1-5H3
InChIKeyXXKMRSKJGCXSPW-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
CID 103449306
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549
ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
CID 129318515
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol
CID 174842285
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
3-hydroxy-2-(4-methoxyphenyl)-3-propylhexanenitrile
CID 143207449
1-methoxy-4-nonan-5-ylbenzene
CID 14937032

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol?
The IUPAC name of 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol (CID 143436488) is 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol?
The canonical SMILES for 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol is CCCCC(O)(CC)C(CN(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol?
The InChIKey is XXKMRSKJGCXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-8-13-18(20,7-2)17(14-19(3)4)15-9-11-16(21-5)12-10-15/h9-12,17,20H,6-8,13-14H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol?
1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol has a molecular weight of 293.45 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethyl-2-(4-methoxyphenyl)heptan-3-ol is sourced from PubChem (CID 143436488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).