(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile

C19H20N2O — CID 69367669

IUPAC(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESCCN(Cc1ccccc1)[C@@H]1COc2ccc(C#N)cc2C1
InChIInChI=1S/C19H20N2O/c1-2-21(13-15-6-4-3-5-7-15)18-11-17-10-16(12-20)8-9-19(17)22-14-18/h3-10,18H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyDWXICUGJVJHAEO-SFHVURJKSA-N
MW292.38 g/mol
LogP3.38
Rot. Bonds4

About (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile

(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile (PubChem CID 69367669) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile.

Molecular Properties

Compound Name(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
PubChem CID69367669
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESCCN(Cc1ccccc1)[C@@H]1COc2ccc(C#N)cc2C1
InChIInChI=1S/C19H20N2O/c1-2-21(13-15-6-4-3-5-7-15)18-11-17-10-16(12-20)8-9-19(17)22-14-18/h3-10,18H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyDWXICUGJVJHAEO-SFHVURJKSA-N
XLogP3.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 500476
(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69367504
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984
4-(dibenzylamino)oxolan-2-one
CID 70144747
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188579
3-(dipropylamino)-8-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69366717
3-chloro-4-[[cyclopropyl(ethyl)amino]methyl]benzonitrile
CID 102665286
4-ethyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 67574974
3-amino-4-[benzyl(propyl)amino]benzonitrile
CID 43587707
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile?
The IUPAC name of (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile (CID 69367669) is (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile.
What is the SMILES notation for (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile?
The canonical SMILES for (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile is CCN(Cc1ccccc1)[C@@H]1COc2ccc(C#N)cc2C1.
What is the InChIKey of (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile?
The InChIKey is DWXICUGJVJHAEO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-21(13-15-6-4-3-5-7-15)18-11-17-10-16(12-20)8-9-19(17)22-14-18/h3-10,18H,2,11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile?
(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile is sourced from PubChem (CID 69367669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).