6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol

C21H29NO — CID 70534520

IUPAC6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
SMILESCC(Cc1ccccc1)C(O)(CCCN(C)C)c1ccccc1
InChIInChI=1S/C21H29NO/c1-18(17-19-11-6-4-7-12-19)21(23,15-10-16-22(2)3)20-13-8-5-9-14-20/h4-9,11-14,18,23H,10,15-17H2,1-3H3
InChIKeyNWVMQGKIDNBODC-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.09
Rot. Bonds8

About 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol

6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol (PubChem CID 70534520) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol.

Molecular Properties

Compound Name6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
PubChem CID70534520
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
SMILESCC(Cc1ccccc1)C(O)(CCCN(C)C)c1ccccc1
InChIInChI=1S/C21H29NO/c1-18(17-19-11-6-4-7-12-19)21(23,15-10-16-22(2)3)20-13-8-5-9-14-20/h4-9,11-14,18,23H,10,15-17H2,1-3H3
InChIKeyNWVMQGKIDNBODC-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630
2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
CID 117067679
(2R,3R)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467628
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
5-(dimethylamino)-2,2-diphenylpentanal
CID 88611833
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol?
The IUPAC name of 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol (CID 70534520) is 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol.
What is the SMILES notation for 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol?
The canonical SMILES for 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol is CC(Cc1ccccc1)C(O)(CCCN(C)C)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol?
The InChIKey is NWVMQGKIDNBODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-18(17-19-11-6-4-7-12-19)21(23,15-10-16-22(2)3)20-13-8-5-9-14-20/h4-9,11-14,18,23H,10,15-17H2,1-3H3.
What are the key properties of 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol?
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol has a molecular weight of 311.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol is sourced from PubChem (CID 70534520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).