(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine

C14H16BrNO3S — CID 61104551

IUPAC(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H16BrNO3S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14H,16H2,1-3H3
InChIKeyIDUKRHHFDJCCCN-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.58
Rot. Bonds5

About (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine

(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 61104551) has the molecular formula C14H16BrNO3S and a molecular weight of 358.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID61104551
Molecular FormulaC14H16BrNO3S
Molecular Weight358.26 g/mol
Exact Mass357.00
IUPAC Name(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H16BrNO3S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14H,16H2,1-3H3
InChIKeyIDUKRHHFDJCCCN-UHFFFAOYSA-N
XLogP3.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474194
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79981793
(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 61102058

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine (CID 61104551) is (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)c2ccc(Br)s2)cc1OC.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is IDUKRHHFDJCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S/c1-17-9-7-11(19-3)10(18-2)6-8(9)14(16)12-4-5-13(15)20-12/h4-7,14H,16H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine?
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 358.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 61104551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).