(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine

C11H7Br2Cl2NS — CID 43345039

IUPAC(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br2Cl2NS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2
InChIKeySWXPRZOZASOYDZ-UHFFFAOYSA-N
MW415.97 g/mol
LogP5.63
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine

(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine (PubChem CID 43345039) has the molecular formula C11H7Br2Cl2NS and a molecular weight of 415.97 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
PubChem CID43345039
Molecular FormulaC11H7Br2Cl2NS
Molecular Weight415.97 g/mol
Exact Mass412.80
IUPAC Name(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br2Cl2NS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2
InChIKeySWXPRZOZASOYDZ-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
CID 114027953
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 114023500
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine (CID 43345039) is (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine is NC(c1cc(Cl)ccc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is SWXPRZOZASOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2Cl2NS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine?
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 415.97 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 43345039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).