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

C11H7Cl4NS — CID 43344832

IUPAC(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl4NS/c12-7-3-1-2-5(9(7)14)10(16)6-4-8(13)17-11(6)15/h1-4,10H,16H2
InChIKeyBTFLNCSRMSWJMY-UHFFFAOYSA-N
MW327.06 g/mol
LogP5.41
Rot. Bonds2

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

(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 43344832) has the molecular formula C11H7Cl4NS and a molecular weight of 327.06 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID43344832
Molecular FormulaC11H7Cl4NS
Molecular Weight327.06 g/mol
Exact Mass324.91
IUPAC Name(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl4NS/c12-7-3-1-2-5(9(7)14)10(16)6-4-8(13)17-11(6)15/h1-4,10H,16H2
InChIKeyBTFLNCSRMSWJMY-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.06
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(2,3-dichlorophenyl)methanediamine
CID 139660481
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 43344832) is (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is BTFLNCSRMSWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl4NS/c12-7-3-1-2-5(9(7)14)10(16)6-4-8(13)17-11(6)15/h1-4,10H,16H2.
What are the key properties of (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 327.06 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 43344832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).