N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine

C15H19NOS — CID 83175239

IUPACN-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccoc1
InChIInChI=1S/C15H19NOS/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyALVAQLHJJMPADC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine

N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine (PubChem CID 83175239) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
PubChem CID83175239
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
SMILESCCNC(CSc1ccccc1)Cc1ccoc1
InChIInChI=1S/C15H19NOS/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyALVAQLHJJMPADC-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
CID 105029887

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine (CID 83175239) is N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine is CCNC(CSc1ccccc1)Cc1ccoc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine?
The InChIKey is ALVAQLHJJMPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-16-14(10-13-8-9-17-11-13)12-18-15-6-4-3-5-7-15/h3-9,11,14,16H,2,10,12H2,1H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine?
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 83175239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).