2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline

C16H13Cl2NS2 — CID 66252073

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C16H13Cl2NS2/c1-10-4-2-5-11(17)15(10)19-16(12-6-3-9-20-12)13-7-8-14(18)21-13/h2-9,16,19H,1H3
InChIKeyIGKRPBAHDWUJEM-UHFFFAOYSA-N
MW354.33 g/mol
LogP6.63
Rot. Bonds4

About 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline

2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline (PubChem CID 66252073) has the molecular formula C16H13Cl2NS2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
PubChem CID66252073
Molecular FormulaC16H13Cl2NS2
Molecular Weight354.33 g/mol
Exact Mass352.99
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C16H13Cl2NS2/c1-10-4-2-5-11(17)15(10)19-16(12-6-3-9-20-12)13-7-8-14(18)21-13/h2-9,16,19H,1H3
InChIKeyIGKRPBAHDWUJEM-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methylaniline
CID 43758835
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-fluoroaniline
CID 43759777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline (CID 66252073) is 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline is Cc1cccc(Cl)c1NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline?
The InChIKey is IGKRPBAHDWUJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NS2/c1-10-4-2-5-11(17)15(10)19-16(12-6-3-9-20-12)13-7-8-14(18)21-13/h2-9,16,19H,1H3.
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline?
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline has a molecular weight of 354.33 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline is sourced from PubChem (CID 66252073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).