3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine

C15H18ClNOS — CID 19865622

IUPAC3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCCC(Sc1ccc(Cl)o1)c1cccc(C)c1
InChIInChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)13(8-9-17-2)19-15-7-6-14(16)18-15/h3-7,10,13,17H,8-9H2,1-2H3
InChIKeyQMBVAOHDVQXMAV-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.68
Rot. Bonds6

About 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine

3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 19865622) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID19865622
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCCC(Sc1ccc(Cl)o1)c1cccc(C)c1
InChIInChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)13(8-9-17-2)19-15-7-6-14(16)18-15/h3-7,10,13,17H,8-9H2,1-2H3
InChIKeyQMBVAOHDVQXMAV-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 159931174
3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine
CID 57281713
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
3-(1-benzothiophen-4-ylsulfanyl)-N-methyl-3-phenylpropan-1-amine
CID 23568936
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535
[1-(3-methylphenyl)-2-phosphanylethyl] thiocyanate
CID 175182236
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 19865622) is 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine is CNCCC(Sc1ccc(Cl)o1)c1cccc(C)c1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is QMBVAOHDVQXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)13(8-9-17-2)19-15-7-6-14(16)18-15/h3-7,10,13,17H,8-9H2,1-2H3.
What are the key properties of 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine?
3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 295.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 19865622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).