(3-aminophenyl)-(3-bromothiophen-2-yl)methanol

C11H10BrNOS — CID 106695750

IUPAC(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
SMILESNc1cccc(C(O)c2sccc2Br)c1
InChIInChI=1S/C11H10BrNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10,14H,13H2
InChIKeyAWFQNANVODPEIK-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.17
Rot. Bonds2

About (3-aminophenyl)-(3-bromothiophen-2-yl)methanol

(3-aminophenyl)-(3-bromothiophen-2-yl)methanol (PubChem CID 106695750) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is (3-aminophenyl)-(3-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
PubChem CID106695750
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name(3-aminophenyl)-(3-bromothiophen-2-yl)methanol
SMILESNc1cccc(C(O)c2sccc2Br)c1
InChIInChI=1S/C11H10BrNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10,14H,13H2
InChIKeyAWFQNANVODPEIK-UHFFFAOYSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.17
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

(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502982
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 55238404
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382
(3-bromothiophen-2-yl)-(1H-pyrrol-3-yl)methanol
CID 63796291
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromothiophen-2-yl)methanol
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(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3-bromothiophen-2-yl)methanol?
The IUPAC name of (3-aminophenyl)-(3-bromothiophen-2-yl)methanol (CID 106695750) is (3-aminophenyl)-(3-bromothiophen-2-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(3-bromothiophen-2-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(3-bromothiophen-2-yl)methanol is Nc1cccc(C(O)c2sccc2Br)c1.
What is the InChIKey of (3-aminophenyl)-(3-bromothiophen-2-yl)methanol?
The InChIKey is AWFQNANVODPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6,10,14H,13H2.
What are the key properties of (3-aminophenyl)-(3-bromothiophen-2-yl)methanol?
(3-aminophenyl)-(3-bromothiophen-2-yl)methanol has a molecular weight of 284.18 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3-bromothiophen-2-yl)methanol is sourced from PubChem (CID 106695750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).