2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile

C15H16N2O — CID 43722297

IUPAC2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
SMILESCc1ccc(C(C)Nc2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H16N2O/c1-11-3-8-15(18-11)12(2)17-14-6-4-13(5-7-14)9-10-16/h3-8,12,17H,9H2,1-2H3
InChIKeyUSNHTGFEAIQZRR-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.83
Rot. Bonds4

About 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile

2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile (PubChem CID 43722297) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
PubChem CID43722297
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
SMILESCc1ccc(C(C)Nc2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H16N2O/c1-11-3-8-15(18-11)12(2)17-14-6-4-13(5-7-14)9-10-16/h3-8,12,17H,9H2,1-2H3
InChIKeyUSNHTGFEAIQZRR-UHFFFAOYSA-N
XLogP3.83
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722234
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
2-[4-(1-pyridin-3-ylethylamino)phenyl]acetonitrile
CID 43722276
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile (CID 43722297) is 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile is Cc1ccc(C(C)Nc2ccc(CC#N)cc2)o1.
What is the InChIKey of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile?
The InChIKey is USNHTGFEAIQZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-3-8-15(18-11)12(2)17-14-6-4-13(5-7-14)9-10-16/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile?
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 43722297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).