N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine

C16H21NOS — CID 64609476

IUPACN-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSCc1ccco1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-2-10-17-16(14-7-4-3-5-8-14)13-19-12-15-9-6-11-18-15/h3-9,11,16-17H,2,10,12-13H2,1H3
InChIKeyUVDPYCDSCOJZIU-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine

N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine (PubChem CID 64609476) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
PubChem CID64609476
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSCc1ccco1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-2-10-17-16(14-7-4-3-5-8-14)13-19-12-15-9-6-11-18-15/h3-9,11,16-17H,2,10,12-13H2,1H3
InChIKeyUVDPYCDSCOJZIU-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
N-[2-[(2-chlorophenyl)methylsulfanyl]-1-phenylethyl]propan-1-amine
CID 103291043
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610321
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine (CID 64609476) is N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine is CCCNC(CSCc1ccco1)c1ccccc1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine?
The InChIKey is UVDPYCDSCOJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-10-17-16(14-7-4-3-5-8-14)13-19-12-15-9-6-11-18-15/h3-9,11,16-17H,2,10,12-13H2,1H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine?
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 64609476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).