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

C14H13BrFNO — CID 112706584

IUPAC[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccc(NCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-3-6-14(16)11(7-12)8-17-13-4-1-10(9-18)2-5-13/h1-7,17-18H,8-9H2
InChIKeyMXKFGPOZGWTGRH-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.69
Rot. Bonds4

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

[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol (PubChem CID 112706584) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
PubChem CID112706584
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
SMILESOCc1ccc(NCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-3-6-14(16)11(7-12)8-17-13-4-1-10(9-18)2-5-13/h1-7,17-18H,8-9H2
InChIKeyMXKFGPOZGWTGRH-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674318
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]acetic acid
CID 11537371
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol (CID 112706584) is [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol is OCc1ccc(NCc2cc(Br)ccc2F)cc1.
What is the InChIKey of [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
The InChIKey is MXKFGPOZGWTGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-3-6-14(16)11(7-12)8-17-13-4-1-10(9-18)2-5-13/h1-7,17-18H,8-9H2.
What are the key properties of [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol?
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol has a molecular weight of 310.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 112706584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).