(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine

C13H14BrNOS — CID 63798442

IUPAC(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)cc1C
InChIInChI=1S/C13H14BrNOS/c1-8-7-9(3-4-11(8)16-2)12(15)13-10(14)5-6-17-13/h3-7,12H,15H2,1-2H3
InChIKeySQWJHNDXAQXCKM-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.88
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine

(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine (PubChem CID 63798442) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
PubChem CID63798442
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)cc1C
InChIInChI=1S/C13H14BrNOS/c1-8-7-9(3-4-11(8)16-2)12(15)13-10(14)5-6-17-13/h3-7,12H,15H2,1-2H3
InChIKeySQWJHNDXAQXCKM-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine (CID 63798442) is (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine is COc1ccc(C(N)c2sccc2Br)cc1C.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
The InChIKey is SQWJHNDXAQXCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-7-9(3-4-11(8)16-2)12(15)13-10(14)5-6-17-13/h3-7,12H,15H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine?
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine has a molecular weight of 312.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 63798442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).