(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine

C14H15BrClNO3S — CID 80530800

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)c(Br)s2)cc(OC)c1OC
InChIInChI=1S/C14H15BrClNO3S/c1-18-9-4-7(5-10(19-2)13(9)20-3)12(17)11-6-8(16)14(15)21-11/h4-6,12H,17H2,1-3H3
InChIKeyVKLWTQBJBXCPLT-UHFFFAOYSA-N
MW392.70 g/mol
LogP4.24
Rot. Bonds5

About (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 80530800) has the molecular formula C14H15BrClNO3S and a molecular weight of 392.70 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID80530800
Molecular FormulaC14H15BrClNO3S
Molecular Weight392.70 g/mol
Exact Mass390.96
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)c(Br)s2)cc(OC)c1OC
InChIInChI=1S/C14H15BrClNO3S/c1-18-9-4-7(5-10(19-2)13(9)20-3)12(17)11-6-8(16)14(15)21-11/h4-6,12H,17H2,1-3H3
InChIKeyVKLWTQBJBXCPLT-UHFFFAOYSA-N
XLogP4.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.70
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
CID 80531065
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 80530682
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 80531246
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
2-bromo-5-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-chlorothiophene
CID 80533464
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine (CID 80530800) is (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)c2cc(Cl)c(Br)s2)cc(OC)c1OC.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is VKLWTQBJBXCPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3S/c1-18-9-4-7(5-10(19-2)13(9)20-3)12(17)11-6-8(16)14(15)21-11/h4-6,12H,17H2,1-3H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 392.70 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 80530800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).