[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol

C15H15BrClNO — CID 114845322

IUPAC[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
SMILESCN(Cc1cccc(Br)c1)c1ccc(Cl)cc1CO
InChIInChI=1S/C15H15BrClNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyLKVUIWHQVKEYLZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.23
Rot. Bonds4

About [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol

[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol (PubChem CID 114845322) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
PubChem CID114845322
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
SMILESCN(Cc1cccc(Br)c1)c1ccc(Cl)cc1CO
InChIInChI=1S/C15H15BrClNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyLKVUIWHQVKEYLZ-UHFFFAOYSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
1-N-[(3-bromophenyl)methyl]-4-chloro-1-N,5-dimethylbenzene-1,2-diamine
CID 115126569

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol?
The IUPAC name of [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol (CID 114845322) is [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol is CN(Cc1cccc(Br)c1)c1ccc(Cl)cc1CO.
What is the InChIKey of [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol?
The InChIKey is LKVUIWHQVKEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-18(9-11-3-2-4-13(16)7-11)15-6-5-14(17)8-12(15)10-19/h2-8,19H,9-10H2,1H3.
What are the key properties of [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol?
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol has a molecular weight of 340.65 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol is sourced from PubChem (CID 114845322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).