(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine

C13H14BrNOS — CID 79981203

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H14BrNOS/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7,12H,15H2,1-2H3
InChIKeyFNLGMMTZXSAIDM-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.88
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine (PubChem CID 79981203) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
PubChem CID79981203
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H14BrNOS/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7,12H,15H2,1-2H3
InChIKeyFNLGMMTZXSAIDM-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

2-bromo-5-[chloro-(4-methoxyphenyl)methyl]-3-methylthiophene
CID 79997174
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
2-bromo-5-[bromo-(3-methoxyphenyl)methyl]-3-methylthiophene
CID 79991701
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 79981059
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine (CID 79981203) is (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(C)c(Br)s2)cc1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine?
The InChIKey is FNLGMMTZXSAIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7,12H,15H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)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 (5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 79981203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).