2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile

C17H20N2O — CID 62632335

IUPAC2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
SMILESCCC(Nc1ccc(C(C)(C)C#N)cc1)c1ccco1
InChIInChI=1S/C17H20N2O/c1-4-15(16-6-5-11-20-16)19-14-9-7-13(8-10-14)17(2,3)12-18/h5-11,15,19H,4H2,1-3H3
InChIKeyATSGWOJYACHWQK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.64
Rot. Bonds5

About 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile

2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile (PubChem CID 62632335) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
PubChem CID62632335
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
SMILESCCC(Nc1ccc(C(C)(C)C#N)cc1)c1ccco1
InChIInChI=1S/C17H20N2O/c1-4-15(16-6-5-11-20-16)19-14-9-7-13(8-10-14)17(2,3)12-18/h5-11,15,19H,4H2,1-3H3
InChIKeyATSGWOJYACHWQK-UHFFFAOYSA-N
XLogP4.64
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
2-methyl-2-[4-(nonan-2-ylamino)phenyl]propanenitrile
CID 43674379
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]-2-methylpropanenitrile
CID 102868301
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62633256
2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
CID 107466817

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile (CID 62632335) is 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile is CCC(Nc1ccc(C(C)(C)C#N)cc1)c1ccco1.
What is the InChIKey of 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile?
The InChIKey is ATSGWOJYACHWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-15(16-6-5-11-20-16)19-14-9-7-13(8-10-14)17(2,3)12-18/h5-11,15,19H,4H2,1-3H3.
What are the key properties of 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile?
2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile has a molecular weight of 268.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 62632335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).