5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol

C16H27NO2 — CID 90977706

IUPAC5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
SMILESCOc1cccc(C(O)(CC(C)N(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)16(18,11-13(3)17(4)5)14-8-7-9-15(10-14)19-6/h7-10,12-13,18H,11H2,1-6H3
InChIKeyHEURNGATMFEDQW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.88
Rot. Bonds6

About 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol

5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol (PubChem CID 90977706) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
PubChem CID90977706
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
SMILESCOc1cccc(C(O)(CC(C)N(C)C)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)16(18,11-13(3)17(4)5)14-8-7-9-15(10-14)19-6/h7-10,12-13,18H,11H2,1-6H3
InChIKeyHEURNGATMFEDQW-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917
3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43829974
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 134439236
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
3-(3-cyclopropyloxyphenyl)-2-methylpentan-3-ol
CID 114520776

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol?
The IUPAC name of 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol (CID 90977706) is 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol.
What is the SMILES notation for 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol?
The canonical SMILES for 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol is COc1cccc(C(O)(CC(C)N(C)C)C(C)C)c1.
What is the InChIKey of 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol?
The InChIKey is HEURNGATMFEDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)16(18,11-13(3)17(4)5)14-8-7-9-15(10-14)19-6/h7-10,12-13,18H,11H2,1-6H3.
What are the key properties of 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol?
5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol is sourced from PubChem (CID 90977706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).