1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine

C14H16ClNOS — CID 114866129

IUPAC1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1SCc1ccco1
InChIInChI=1S/C14H16ClNOS/c1-10(16)7-11-4-5-12(15)8-14(11)18-9-13-3-2-6-17-13/h2-6,8,10H,7,9,16H2,1H3
InChIKeyWBNORJCAFAAGQM-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.11
Rot. Bonds5

About 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine

1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine (PubChem CID 114866129) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
PubChem CID114866129
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1SCc1ccco1
InChIInChI=1S/C14H16ClNOS/c1-10(16)7-11-4-5-12(15)8-14(11)18-9-13-3-2-6-17-13/h2-6,8,10H,7,9,16H2,1H3
InChIKeyWBNORJCAFAAGQM-UHFFFAOYSA-N
XLogP4.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114062128
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
1-[5-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]butan-2-amine
CID 114866131
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
1-(2-benzylsulfanyl-4-chlorophenyl)butan-2-amine
CID 114865854
1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine
CID 114865844
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine (CID 114866129) is 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1SCc1ccco1.
What is the InChIKey of 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine?
The InChIKey is WBNORJCAFAAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(16)7-11-4-5-12(15)8-14(11)18-9-13-3-2-6-17-13/h2-6,8,10H,7,9,16H2,1H3.
What are the key properties of 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine?
1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine has a molecular weight of 281.81 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine is sourced from PubChem (CID 114866129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).