2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol

C13H21BrN2O — CID 66480263

IUPAC2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCc1cc(C(CO)NCCN(C)C)ccc1Br
InChIInChI=1S/C13H21BrN2O/c1-10-8-11(4-5-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3
InChIKeyWPJLZMCRBODXNC-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.94
Rot. Bonds6

About 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 66480263) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID66480263
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCc1cc(C(CO)NCCN(C)C)ccc1Br
InChIInChI=1S/C13H21BrN2O/c1-10-8-11(4-5-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3
InChIKeyWPJLZMCRBODXNC-UHFFFAOYSA-N
XLogP1.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 115381058
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
2-bromo-2-(4-bromo-3-methylphenyl)-N,N-dimethylethanamine
CID 90679723
2-[2-(dimethylamino)ethylamino]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 61053912
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056542
2-(3-bromo-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 105401809
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 66480263) is 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol is Cc1cc(C(CO)NCCN(C)C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is WPJLZMCRBODXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10-8-11(4-5-12(10)14)13(9-17)15-6-7-16(2)3/h4-5,8,13,15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 301.23 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 66480263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).