3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

C16H27NO2 — CID 115135387

IUPAC3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCCc1cc(CN(C)CC(C)(C)CO)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14-9-13(7-8-15(14)19-5)10-17(4)11-16(2,3)12-18/h7-9,18H,6,10-12H2,1-5H3
InChIKeyKWXLXOAXKUPDBX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.71
Rot. Bonds7

About 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol

3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115135387) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115135387
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
SMILESCCc1cc(CN(C)CC(C)(C)CO)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14-9-13(7-8-15(14)19-5)10-17(4)11-16(2,3)12-18/h7-9,18H,6,10-12H2,1-5H3
InChIKeyKWXLXOAXKUPDBX-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol (CID 115135387) is 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol is CCc1cc(CN(C)CC(C)(C)CO)ccc1OC.
What is the InChIKey of 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is KWXLXOAXKUPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-14-9-13(7-8-15(14)19-5)10-17(4)11-16(2,3)12-18/h7-9,18H,6,10-12H2,1-5H3.
What are the key properties of 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol?
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).