(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine

C12H10Br2ClNOS — CID 80532989

IUPAC(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br2ClNOS/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11H,16H2,1H3
InChIKeyJNSYVDIIIFWLOD-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.98
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine

(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine (PubChem CID 80532989) has the molecular formula C12H10Br2ClNOS and a molecular weight of 411.55 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
PubChem CID80532989
Molecular FormulaC12H10Br2ClNOS
Molecular Weight411.55 g/mol
Exact Mass408.85
IUPAC Name(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br2ClNOS/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11H,16H2,1H3
InChIKeyJNSYVDIIIFWLOD-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535475
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
3-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-methylthiophene
CID 102836139
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine (CID 80532989) is (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine is COc1cc(Cl)ccc1C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
The InChIKey is JNSYVDIIIFWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNOS/c1-17-9-4-6(15)2-3-7(9)11(16)10-5-8(13)12(14)18-10/h2-5,11H,16H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine?
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine has a molecular weight of 411.55 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine is sourced from PubChem (CID 80532989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).