1-(2-chlorothiophen-3-yl)-N-methylmethanamine

C6H8ClNS — CID 82652271

IUPAC1-(2-chlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1ccsc1Cl
InChIInChI=1S/C6H8ClNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3
InChIKeyFLIUZHAYRMONFI-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-chlorothiophen-3-yl)-N-methylmethanamine

1-(2-chlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 82652271) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-N-methylmethanamine
PubChem CID82652271
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name1-(2-chlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1ccsc1Cl
InChIInChI=1S/C6H8ClNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3
InChIKeyFLIUZHAYRMONFI-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-3-Thiophenemethanamine
CID 693140
Methyl(thiophen-3-ylmethyl)amine hydrochloride
CID 17368893
(5-Chlorothiophen-3-yl)methanamine hydrochloride
CID 57415853
(5-Chlorothiophen-3-yl)methanamine
CID 55283981
N-(thiophen-3-ylmethyl)propan-1-amine
CID 4723846
N-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 4723852
N-[(2,5-dichlorothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 107961499
(2S)-N-[(2-chlorothiophen-3-yl)methyl]-1-fluoropropan-2-amine
CID 124253615
cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130685133
cis-(1R,2S)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130835205
N-(thiophen-3-ylmethyl)butan-1-amine
CID 4723835
N-(thiophen-3-ylmethyl)ethanamine
CID 4723845

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-N-methylmethanamine (CID 82652271) is 1-(2-chlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-N-methylmethanamine is CNCc1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is FLIUZHAYRMONFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3.
What are the key properties of 1-(2-chlorothiophen-3-yl)-N-methylmethanamine?
1-(2-chlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 161.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82652271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).