1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol

C16H27NO2 — CID 174842285

IUPAC1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol
SMILESCCC(O)(Cc1cccc(OC)c1)C(C)CN(C)C
InChIInChI=1S/C16H27NO2/c1-6-16(18,13(2)12-17(3)4)11-14-8-7-9-15(10-14)19-5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyNIEPLQYCPPYGDR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.58
Rot. Bonds7

About 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol

1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol (PubChem CID 174842285) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol
PubChem CID174842285
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol
SMILESCCC(O)(Cc1cccc(OC)c1)C(C)CN(C)C
InChIInChI=1S/C16H27NO2/c1-6-16(18,13(2)12-17(3)4)11-14-8-7-9-15(10-14)19-5/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyNIEPLQYCPPYGDR-UHFFFAOYSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
1-methoxy-2-[(3-methoxyphenyl)methyl]butan-2-ol
CID 65149549
1-(3-methoxyphenyl)-2-propan-2-yloxypropan-2-ol
CID 91379820
2,3-dihydroxybutanedioic acid;(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 86624368
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
(3-methoxyphenyl)(113C)methanol
CID 11593446
(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
CID 22642700
1-methoxy-3-propylbenzene
CID 14270128
bis(4-methylphenyl) (2S,3S)-2,3-dihydroxybutanedioate;(2R,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
CID 11988786

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol?
The IUPAC name of 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol (CID 174842285) is 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol is CCC(O)(Cc1cccc(OC)c1)C(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol?
The InChIKey is NIEPLQYCPPYGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(18,13(2)12-17(3)4)11-14-8-7-9-15(10-14)19-5/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol?
1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol is sourced from PubChem (CID 174842285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).