2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol

C10H13BrClNO — CID 115903791

IUPAC2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-13(4-5-14)7-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyOCXWFWQPAVASGO-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.53
Rot. Bonds4

About 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol

2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol (PubChem CID 115903791) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
PubChem CID115903791
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-13(4-5-14)7-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7H2,1H3
InChIKeyOCXWFWQPAVASGO-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
CID 115879563
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
2-[(3-bromo-4-chlorophenyl)methyl-propan-2-ylamino]acetic acid
CID 83240855
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol (CID 115903791) is 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol?
The InChIKey is OCXWFWQPAVASGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-13(4-5-14)7-8-2-3-10(12)9(11)6-8/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol?
2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol has a molecular weight of 278.58 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 115903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).