2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol

C14H14BrNO2 — CID 63046915

IUPAC2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1cccc(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c15-13-7-10(4-5-14(13)18)8-16-12-3-1-2-11(6-12)9-17/h1-7,16-18H,8-9H2
InChIKeyKMVAEMZTYOERKM-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.26
Rot. Bonds4

About 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol

2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol (PubChem CID 63046915) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
PubChem CID63046915
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1cccc(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c15-13-7-10(4-5-14(13)18)8-16-12-3-1-2-11(6-12)9-17/h1-7,16-18H,8-9H2
InChIKeyKMVAEMZTYOERKM-UHFFFAOYSA-N
XLogP3.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
2-bromo-4-[(3-pyrrolidin-1-ylanilino)methyl]phenol
CID 63047265
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol (CID 63046915) is 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol is OCc1cccc(NCc2ccc(O)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The InChIKey is KMVAEMZTYOERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-13-7-10(4-5-14(13)18)8-16-12-3-1-2-11(6-12)9-17/h1-7,16-18H,8-9H2.
What are the key properties of 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol has a molecular weight of 308.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 63046915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).