2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol

C13H22N2O — CID 112501466

IUPAC2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCCN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)13(16)10-14-7-8-15(2)3/h4-6,9,13-14,16H,7-8,10H2,1-3H3
InChIKeyADVHOCCHAHTKOB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.18
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol

2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol (PubChem CID 112501466) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
PubChem CID112501466
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCCN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)13(16)10-14-7-8-15(2)3/h4-6,9,13-14,16H,7-8,10H2,1-3H3
InChIKeyADVHOCCHAHTKOB-UHFFFAOYSA-N
XLogP1.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
2-[2-(dimethylamino)ethylamino]-1-(4-nitrophenyl)ethanol
CID 78914202
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol (CID 112501466) is 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol?
The InChIKey is ADVHOCCHAHTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)13(16)10-14-7-8-15(2)3/h4-6,9,13-14,16H,7-8,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol?
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 112501466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).