3-[(5-bromothiophen-2-yl)methoxy]aniline

C11H10BrNOS — CID 18072503

IUPAC3-[(5-bromothiophen-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(Br)s2)c1
InChIInChI=1S/C11H10BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h1-6H,7,13H2
InChIKeyHZVHPOXVFBLQRZ-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.67
Rot. Bonds3

About 3-[(5-bromothiophen-2-yl)methoxy]aniline

3-[(5-bromothiophen-2-yl)methoxy]aniline (PubChem CID 18072503) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methoxy]aniline
PubChem CID18072503
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name3-[(5-bromothiophen-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(Br)s2)c1
InChIInChI=1S/C11H10BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h1-6H,7,13H2
InChIKeyHZVHPOXVFBLQRZ-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
3-N-[(5-bromothiophen-2-yl)methyl]-3-N-methylbenzene-1,3-diamine
CID 61295641
3-amino-2-[(5-bromothiophen-2-yl)methoxy]benzoic acid
CID 107077419
(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-methylaniline
CID 79843438
3-pent-2-ynoxyaniline
CID 45091199
5-[(5-bromothiophen-2-yl)methoxy]-2-fluoropyridine
CID 115371625
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
CID 61316761

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]aniline?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methoxy]aniline (CID 18072503) is 3-[(5-bromothiophen-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methoxy]aniline is Nc1cccc(OCc2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methoxy]aniline?
The InChIKey is HZVHPOXVFBLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c12-11-5-4-10(15-11)7-14-9-3-1-2-8(13)6-9/h1-6H,7,13H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methoxy]aniline?
3-[(5-bromothiophen-2-yl)methoxy]aniline has a molecular weight of 284.18 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methoxy]aniline is sourced from PubChem (CID 18072503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).