[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol

C15H16BrNO — CID 61415401

IUPAC[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Br)cc1)c1ccccc1CO
InChIInChI=1S/C15H16BrNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,18H,10-11H2,1H3
InChIKeyASUJKEODNGCJMV-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.58
Rot. Bonds4

About [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol

[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol (PubChem CID 61415401) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
PubChem CID61415401
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Br)cc1)c1ccccc1CO
InChIInChI=1S/C15H16BrNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,18H,10-11H2,1H3
InChIKeyASUJKEODNGCJMV-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
CID 54982683
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol
CID 87710048
[2-[methyl(2-methylpropyl)amino]phenyl]methanol
CID 10130329
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol (CID 61415401) is [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol is CN(Cc1ccc(Br)cc1)c1ccccc1CO.
What is the InChIKey of [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The InChIKey is ASUJKEODNGCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17(10-12-6-8-14(16)9-7-12)15-5-3-2-4-13(15)11-18/h2-9,18H,10-11H2,1H3.
What are the key properties of [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol has a molecular weight of 306.20 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 61415401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).