2-bromo-4-[(4-methylanilino)methyl]phenol

C14H14BrNO — CID 55025634

IUPAC2-bromo-4-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-5-12(6-3-10)16-9-11-4-7-14(17)13(15)8-11/h2-8,16-17H,9H2,1H3
InChIKeyBPHYTQPLXNDAOS-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-4-[(4-methylanilino)methyl]phenol

2-bromo-4-[(4-methylanilino)methyl]phenol (PubChem CID 55025634) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-bromo-4-[(4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-methylanilino)methyl]phenol
PubChem CID55025634
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-bromo-4-[(4-methylanilino)methyl]phenol
SMILESCc1ccc(NCc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-5-12(6-3-10)16-9-11-4-7-14(17)13(15)8-11/h2-8,16-17H,9H2,1H3
InChIKeyBPHYTQPLXNDAOS-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 63046192
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
2-bromo-4-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63047287
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
CID 63046876
2-bromo-4-[[4-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 63045032
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(4-methylanilino)methyl]phenol (CID 55025634) is 2-bromo-4-[(4-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-methylanilino)methyl]phenol is Cc1ccc(NCc2ccc(O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[(4-methylanilino)methyl]phenol?
The InChIKey is BPHYTQPLXNDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-2-5-12(6-3-10)16-9-11-4-7-14(17)13(15)8-11/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-bromo-4-[(4-methylanilino)methyl]phenol?
2-bromo-4-[(4-methylanilino)methyl]phenol has a molecular weight of 292.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-methylanilino)methyl]phenol is sourced from PubChem (CID 55025634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).