1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C12H14ClNS — CID 17290304

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NS.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H
InChIKeyRVASOTFCBOTDNM-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.46
Rot. Bonds4

About 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17290304) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17290304
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NS.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H
InChIKeyRVASOTFCBOTDNM-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine
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Tifacogin
CID 961320
2-Phenylthiazolidine
CID 20706
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17290304) is 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is RVASOTFCBOTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-8,13H,9-10H2;1H.
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17290304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).