N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C14H19NOS — CID 105029308

IUPACN-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(C)s1
InChIInChI=1S/C14H19NOS/c1-3-8-15-13(10-12-5-4-9-16-12)14-7-6-11(2)17-14/h4-7,9,13,15H,3,8,10H2,1-2H3
InChIKeyHYFNMJZJMBWCRJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105029308) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID105029308
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(C)s1
InChIInChI=1S/C14H19NOS/c1-3-8-15-13(10-12-5-4-9-16-12)14-7-6-11(2)17-14/h4-7,9,13,15H,3,8,10H2,1-2H3
InChIKeyHYFNMJZJMBWCRJ-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 105029308) is N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(C)s1.
What is the InChIKey of N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is HYFNMJZJMBWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-8-15-13(10-12-5-4-9-16-12)14-7-6-11(2)17-14/h4-7,9,13,15H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).