(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine

C13H13Br2NOS — CID 81473921

IUPAC(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H13Br2NOS/c1-7-5-10(15)8(6-9(7)14)12(16)13-11(17-2)3-4-18-13/h3-6,12H,16H2,1-2H3
InChIKeyMGDIPIAGLOPYHV-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.64
Rot. Bonds3

About (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine

(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81473921) has the molecular formula C13H13Br2NOS and a molecular weight of 391.13 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81473921
Molecular FormulaC13H13Br2NOS
Molecular Weight391.13 g/mol
Exact Mass388.91
IUPAC Name(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C13H13Br2NOS/c1-7-5-10(15)8(6-9(7)14)12(16)13-11(17-2)3-4-18-13/h3-6,12H,16H2,1-2H3
InChIKeyMGDIPIAGLOPYHV-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
CID 65433577
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine (CID 81473921) is (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1cc(Br)c(C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is MGDIPIAGLOPYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NOS/c1-7-5-10(15)8(6-9(7)14)12(16)13-11(17-2)3-4-18-13/h3-6,12H,16H2,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine?
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 391.13 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81473921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).