[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol

C16H18BrNO3 — CID 43229655

IUPAC[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(Br)c(CNc2ccccc2CO)cc1OC
InChIInChI=1S/C16H18BrNO3/c1-20-15-7-12(13(17)8-16(15)21-2)9-18-14-6-4-3-5-11(14)10-19/h3-8,18-19H,9-10H2,1-2H3
InChIKeyPCMBFSNFMTWZPN-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.57
Rot. Bonds6

About [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol

[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol (PubChem CID 43229655) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
PubChem CID43229655
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(Br)c(CNc2ccccc2CO)cc1OC
InChIInChI=1S/C16H18BrNO3/c1-20-15-7-12(13(17)8-16(15)21-2)9-18-14-6-4-3-5-11(14)10-19/h3-8,18-19H,9-10H2,1-2H3
InChIKeyPCMBFSNFMTWZPN-UHFFFAOYSA-N
XLogP3.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile
CID 43425459
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 43220575
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
CID 65340609
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544823
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine
CID 66543090
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol (CID 43229655) is [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol is COc1cc(Br)c(CNc2ccccc2CO)cc1OC.
What is the InChIKey of [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is PCMBFSNFMTWZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-20-15-7-12(13(17)8-16(15)21-2)9-18-14-6-4-3-5-11(14)10-19/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 352.23 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43229655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).