(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol

C14H13BrFNO2 — CID 82807801

IUPAC(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Br)ccc2N)c1F
InChIInChI=1S/C14H13BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7,14,18H,17H2,1H3
InChIKeySREVAUDMLXYUFV-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.26
Rot. Bonds3

About (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol

(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82807801) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82807801
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc(Br)ccc2N)c1F
InChIInChI=1S/C14H13BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7,14,18H,17H2,1H3
InChIKeySREVAUDMLXYUFV-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82807801) is (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cc(Br)ccc2N)c1F.
What is the InChIKey of (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is SREVAUDMLXYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7,14,18H,17H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol?
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 326.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82807801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).