N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine

C16H21NOS — CID 106849348

IUPACN-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)c1ccoc1
InChIInChI=1S/C16H21NOS/c1-3-10-17-16(14-9-11-18-12-14)13-5-7-15(8-6-13)19-4-2/h5-9,11-12,16-17H,3-4,10H2,1-2H3
InChIKeyBGLLJVXNLXQXAK-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.48
Rot. Bonds7

About N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine

N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 106849348) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID106849348
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)c1ccoc1
InChIInChI=1S/C16H21NOS/c1-3-10-17-16(14-9-11-18-12-14)13-5-7-15(8-6-13)19-4-2/h5-9,11-12,16-17H,3-4,10H2,1-2H3
InChIKeyBGLLJVXNLXQXAK-UHFFFAOYSA-N
XLogP4.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 79747443
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
CID 106849374
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[(5-bromo-3-methyltriazol-4-yl)-(4-ethylsulfanylphenyl)methyl]propan-1-amine
CID 106849259
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine (CID 106849348) is N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(SCC)cc1)c1ccoc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is BGLLJVXNLXQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-10-17-16(14-9-11-18-12-14)13-5-7-15(8-6-13)19-4-2/h5-9,11-12,16-17H,3-4,10H2,1-2H3.
What are the key properties of N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106849348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).