2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol

C17H30N2O2 — CID 103190765

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCCN(CC(O)c1cc(C)ccc1OC)C(C)CN(C)C
InChIInChI=1S/C17H30N2O2/c1-7-19(14(3)11-18(4)5)12-16(20)15-10-13(2)8-9-17(15)21-6/h8-10,14,16,20H,7,11-12H2,1-6H3
InChIKeyHEOOFGFBZXIZNQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds8

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 103190765) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID103190765
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCCN(CC(O)c1cc(C)ccc1OC)C(C)CN(C)C
InChIInChI=1S/C17H30N2O2/c1-7-19(14(3)11-18(4)5)12-16(20)15-10-13(2)8-9-17(15)21-6/h8-10,14,16,20H,7,11-12H2,1-6H3
InChIKeyHEOOFGFBZXIZNQ-UHFFFAOYSA-N
XLogP2.31
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
2-[2-methoxyethyl(methyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54980294
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-methoxybenzenecarbothioamide
CID 103189034
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol (CID 103190765) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol is CCN(CC(O)c1cc(C)ccc1OC)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is HEOOFGFBZXIZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-19(14(3)11-18(4)5)12-16(20)15-10-13(2)8-9-17(15)21-6/h8-10,14,16,20H,7,11-12H2,1-6H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 294.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 103190765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).