2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol

C17H30N2O — CID 103190785

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)c(C)c1)C(C)CN(C)C
InChIInChI=1S/C17H30N2O/c1-7-19(15(4)11-18(5)6)12-17(20)16-9-8-13(2)14(3)10-16/h8-10,15,17,20H,7,11-12H2,1-6H3
InChIKeyPGUHEURGSGFEAF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.61
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol (PubChem CID 103190785) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol
PubChem CID103190785
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol
SMILESCCN(CC(O)c1ccc(C)c(C)c1)C(C)CN(C)C
InChIInChI=1S/C17H30N2O/c1-7-19(15(4)11-18(5)6)12-17(20)16-9-8-13(2)14(3)10-16/h8-10,15,17,20H,7,11-12H2,1-6H3
InChIKeyPGUHEURGSGFEAF-UHFFFAOYSA-N
XLogP2.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 103190765
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
CID 63210893
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135826
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol (CID 103190785) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol is CCN(CC(O)c1ccc(C)c(C)c1)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is PGUHEURGSGFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-19(15(4)11-18(5)6)12-17(20)16-9-8-13(2)14(3)10-16/h8-10,15,17,20H,7,11-12H2,1-6H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 103190785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).