N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine

C12H15NOS — CID 115711445

IUPACN-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NCc1ccoc1
InChIInChI=1S/C12H15NOS/c1-9-4-6-15-12(9)10(2)13-7-11-3-5-14-8-11/h3-6,8,10,13H,7H2,1-2H3
InChIKeyROLZVVXNUBIUEJ-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.50
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine

N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115711445) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115711445
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NCc1ccoc1
InChIInChI=1S/C12H15NOS/c1-9-4-6-15-12(9)10(2)13-7-11-3-5-14-8-11/h3-6,8,10,13H,7H2,1-2H3
InChIKeyROLZVVXNUBIUEJ-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 97230120
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
N-(furan-3-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 115903409
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine
CID 115711474
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 115711445) is N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(C)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is ROLZVVXNUBIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-4-6-15-12(9)10(2)13-7-11-3-5-14-8-11/h3-6,8,10,13H,7H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine?
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).