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

C15H25NO2 — CID 115133450

IUPAC2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCCc1cc(CN(C)C(C)(C)CO)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-13-9-12(7-8-14(13)18-5)10-16(4)15(2,3)11-17/h7-9,17H,6,10-11H2,1-5H3
InChIKeyMTGPTPDEZXGJQQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.46
Rot. Bonds6

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

2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115133450) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115133450
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCCc1cc(CN(C)C(C)(C)CO)ccc1OC
InChIInChI=1S/C15H25NO2/c1-6-13-9-12(7-8-14(13)18-5)10-16(4)15(2,3)11-17/h7-9,17H,6,10-11H2,1-5H3
InChIKeyMTGPTPDEZXGJQQ-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
2-methoxy-5-[[methyl(2-methylbutan-2-yl)amino]methyl]benzoic acid
CID 65339608
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178652
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115133450) is 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is CCc1cc(CN(C)C(C)(C)CO)ccc1OC.
What is the InChIKey of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is MTGPTPDEZXGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13-9-12(7-8-14(13)18-5)10-16(4)15(2,3)11-17/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).