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

C13H14BrNOS — CID 43464453

IUPAC(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C13H14BrNOS/c1-8-7-9(16-2)3-4-10(8)13(15)11-5-6-12(14)17-11/h3-7,13H,15H2,1-2H3
InChIKeyLFSAAOFYYNGSRW-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.88
Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine

(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine (PubChem CID 43464453) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
PubChem CID43464453
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C13H14BrNOS/c1-8-7-9(16-2)3-4-10(8)13(15)11-5-6-12(14)17-11/h3-7,13H,15H2,1-2H3
InChIKeyLFSAAOFYYNGSRW-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

(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237701
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine (CID 43464453) is (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(Br)s2)c(C)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine?
The InChIKey is LFSAAOFYYNGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-7-9(16-2)3-4-10(8)13(15)11-5-6-12(14)17-11/h3-7,13H,15H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine?
(5-bromothiophen-2-yl)-(4-methoxy-2-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 (5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 43464453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).