(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine

C11H8Cl3NS — CID 80529772

IUPAC(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1sccc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl3NS/c12-6-2-1-3-7(13)9(6)10(15)11-8(14)4-5-16-11/h1-5,10H,15H2
InChIKeyZGNDKYZIUNTCDU-UHFFFAOYSA-N
MW292.62 g/mol
LogP4.76
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine

(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine (PubChem CID 80529772) has the molecular formula C11H8Cl3NS and a molecular weight of 292.62 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
PubChem CID80529772
Molecular FormulaC11H8Cl3NS
Molecular Weight292.62 g/mol
Exact Mass290.94
IUPAC Name(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1sccc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl3NS/c12-6-2-1-3-7(13)9(6)10(15)11-8(14)4-5-16-11/h1-5,10H,15H2
InChIKeyZGNDKYZIUNTCDU-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 80641792
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
CID 105018799
(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 107359797
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 80644384
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine (CID 80529772) is (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine is NC(c1sccc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The InChIKey is ZGNDKYZIUNTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NS/c12-6-2-1-3-7(13)9(6)10(15)11-8(14)4-5-16-11/h1-5,10H,15H2.
What are the key properties of (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine has a molecular weight of 292.62 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 80529772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).