[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine

C13H15NOS — CID 107783293

IUPAC[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
SMILESCc1cc(CN)ccc1Sc1ccoc1C
InChIInChI=1S/C13H15NOS/c1-9-7-11(8-14)3-4-12(9)16-13-5-6-15-10(13)2/h3-7H,8,14H2,1-2H3
InChIKeyQKCMZECUCIKOLC-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.51
Rot. Bonds3

About [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine

[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine (PubChem CID 107783293) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
PubChem CID107783293
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
SMILESCc1cc(CN)ccc1Sc1ccoc1C
InChIInChI=1S/C13H15NOS/c1-9-7-11(8-14)3-4-12(9)16-13-5-6-15-10(13)2/h3-7H,8,14H2,1-2H3
InChIKeyQKCMZECUCIKOLC-UHFFFAOYSA-N
XLogP3.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylphenyl]sulfanylpyrimidine-4,6-diamine
CID 63813161
[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107781025
(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
CID 60930294
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
[3-methyl-4-(4-nitrophenyl)sulfanylphenyl]methanamine
CID 63808882
(7-methyl-1-benzofuran-5-yl)methanamine
CID 142950179
2-methyl-4-(2-methylfuran-3-yl)sulfanylaniline
CID 107779582
(3-methyl-4-pentylsulfanylphenyl)methanamine
CID 107761403
4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline
CID 107779579
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
4-(aminomethyl)-2-methylaniline
CID 18727732

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine?
The IUPAC name of [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine (CID 107783293) is [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine is Cc1cc(CN)ccc1Sc1ccoc1C.
What is the InChIKey of [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine?
The InChIKey is QKCMZECUCIKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-7-11(8-14)3-4-12(9)16-13-5-6-15-10(13)2/h3-7H,8,14H2,1-2H3.
What are the key properties of [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine?
[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 107783293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).