1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride

C11H14ClNOS — CID 6462424

IUPAC1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccco2)s1.Cl
InChIInChI=1S/C11H13NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h2-6,12H,7-8H2,1H3;1H
InChIKeyPWXASCVWWVMMNE-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.36
Rot. Bonds4

About 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride

1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride (PubChem CID 6462424) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
PubChem CID6462424
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccc(CNCc2ccco2)s1.Cl
InChIInChI=1S/C11H13NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h2-6,12H,7-8H2,1H3;1H
InChIKeyPWXASCVWWVMMNE-UHFFFAOYSA-N
XLogP3.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 28586498
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 115618496
1-(furan-2-yl)-N-[(4-methoxythiophen-2-yl)methyl]methanamine
CID 81121557
2-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-3-amine
CID 66385189
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzene-1,2-diol
CID 62054003
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride (CID 6462424) is 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride is Cc1ccc(CNCc2ccco2)s1.Cl.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is PWXASCVWWVMMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS.ClH/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10;/h2-6,12H,7-8H2,1H3;1H.
What are the key properties of 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 6462424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).