N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine

C15H19NOS — CID 65143764

IUPACN-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NOS/c1-2-10-16-14(15-9-6-11-17-15)12-18-13-7-4-3-5-8-13/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyHEICQVNQSGZWJI-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.11
Rot. Bonds7

About N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine

N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine (PubChem CID 65143764) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
PubChem CID65143764
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1)c1ccco1
InChIInChI=1S/C15H19NOS/c1-2-10-16-14(15-9-6-11-17-15)12-18-13-7-4-3-5-8-13/h3-9,11,14,16H,2,10,12H2,1H3
InChIKeyHEICQVNQSGZWJI-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63833258
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine (CID 65143764) is N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine is CCCNC(CSc1ccccc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine?
The InChIKey is HEICQVNQSGZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-10-16-14(15-9-6-11-17-15)12-18-13-7-4-3-5-8-13/h3-9,11,14,16H,2,10,12H2,1H3.
What are the key properties of N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine?
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65143764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).