[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol

C14H13BrClNO — CID 83235833

IUPAC[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClNO/c15-13-7-10(4-5-14(13)16)8-17-12-3-1-2-11(6-12)9-18/h1-7,17-18H,8-9H2
InChIKeyUIGUCDXEFLOECI-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.21
Rot. Bonds4

About [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol

[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol (PubChem CID 83235833) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
PubChem CID83235833
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
SMILESOCc1cccc(NCc2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C14H13BrClNO/c15-13-7-10(4-5-14(13)16)8-17-12-3-1-2-11(6-12)9-18/h1-7,17-18H,8-9H2
InChIKeyUIGUCDXEFLOECI-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
5-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzoic acid
CID 83230245
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzonitrile
CID 83235729
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
CID 83230495
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol (CID 83235833) is [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol is OCc1cccc(NCc2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol?
The InChIKey is UIGUCDXEFLOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-13-7-10(4-5-14(13)16)8-17-12-3-1-2-11(6-12)9-18/h1-7,17-18H,8-9H2.
What are the key properties of [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol?
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol has a molecular weight of 326.62 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 83235833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).