4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile

C19H18N2O — CID 39976766

IUPAC4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
SMILESC[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O/c1-14(19-11-17-5-3-4-6-18(17)22-19)21(2)13-16-9-7-15(12-20)8-10-16/h3-11,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyCTHAHTAEROWAJX-CQSZACIVSA-N
MW290.37 g/mol
LogP4.50
Rot. Bonds4

About 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile

4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile (PubChem CID 39976766) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
PubChem CID39976766
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
SMILESC[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O/c1-14(19-11-17-5-3-4-6-18(17)22-19)21(2)13-16-9-7-15(12-20)8-10-16/h3-11,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyCTHAHTAEROWAJX-CQSZACIVSA-N
XLogP4.50
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 94020630
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
4-[[1-(1-benzofuran-2-yl)ethyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 46551841
4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 94104043
N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 62983453
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile (CID 39976766) is 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile is C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile?
The InChIKey is CTHAHTAEROWAJX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(19-11-17-5-3-4-6-18(17)22-19)21(2)13-16-9-7-15(12-20)8-10-16/h3-11,14H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile?
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile is sourced from PubChem (CID 39976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).