2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine

C16H21NOS — CID 62583352

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCc1ccc(SC(C)CNCc2ccco2)c(C)c1
InChIInChI=1S/C16H21NOS/c1-12-6-7-16(13(2)9-12)19-14(3)10-17-11-15-5-4-8-18-15/h4-9,14,17H,10-11H2,1-3H3
InChIKeyJNWHFGVEGTXBRJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.17
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine

2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 62583352) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID62583352
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCc1ccc(SC(C)CNCc2ccco2)c(C)c1
InChIInChI=1S/C16H21NOS/c1-12-6-7-16(13(2)9-12)19-14(3)10-17-11-15-5-4-8-18-15/h4-9,14,17H,10-11H2,1-3H3
InChIKeyJNWHFGVEGTXBRJ-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62576351
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62579170
N-(furan-2-ylmethyl)-2-(4-methylphenoxy)propan-1-amine
CID 46736230
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81110948

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine (CID 62583352) is 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine is Cc1ccc(SC(C)CNCc2ccco2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is JNWHFGVEGTXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-7-16(13(2)9-12)19-14(3)10-17-11-15-5-4-8-18-15/h4-9,14,17H,10-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62583352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).