2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol

C15H26N2O — CID 63701171

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-12-6-8-14(9-7-12)15(18)13(2)17(5)11-10-16(3)4/h6-9,13,15,18H,10-11H2,1-5H3
InChIKeyOXVWPDGUYXUVMR-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol

2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol (PubChem CID 63701171) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
PubChem CID63701171
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-12-6-8-14(9-7-12)15(18)13(2)17(5)11-10-16(3)4/h6-9,13,15,18H,10-11H2,1-5H3
InChIKeyOXVWPDGUYXUVMR-UHFFFAOYSA-N
XLogP1.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-methylphenyl)propan-1-ol
CID 105416473
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
3-[2-(dimethylamino)ethyl-methylamino]butan-2-ol
CID 63698741
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-methylamino]propanoic acid
CID 82313139
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
1-(4-ethylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062270
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
CID 63700124
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol (CID 63701171) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)N(C)CCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is OXVWPDGUYXUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-8-14(9-7-12)15(18)13(2)17(5)11-10-16(3)4/h6-9,13,15,18H,10-11H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol?
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 63701171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).