1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine

C16H20ClNOS — CID 83175659

IUPAC1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)Cc1ccoc1
InChIInChI=1S/C16H20ClNOS/c1-2-8-18-14(10-13-7-9-19-11-13)12-20-16-6-4-3-5-15(16)17/h3-7,9,11,14,18H,2,8,10,12H2,1H3
InChIKeySKEVKZSCKKZOPM-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.64
Rot. Bonds8

About 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine

1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine (PubChem CID 83175659) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
PubChem CID83175659
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1Cl)Cc1ccoc1
InChIInChI=1S/C16H20ClNOS/c1-2-8-18-14(10-13-7-9-19-11-13)12-20-16-6-4-3-5-15(16)17/h3-7,9,11,14,18H,2,8,10,12H2,1H3
InChIKeySKEVKZSCKKZOPM-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83175758
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
CID 66141176
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105238115

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine (CID 83175659) is 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccccc1Cl)Cc1ccoc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
The InChIKey is SKEVKZSCKKZOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-2-8-18-14(10-13-7-9-19-11-13)12-20-16-6-4-3-5-15(16)17/h3-7,9,11,14,18H,2,8,10,12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine?
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 83175659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).