6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

C13H16N2O — CID 43114971

IUPAC6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCNC1(C#N)CCCc2cc(OC)ccc21
InChIInChI=1S/C13H16N2O/c1-15-13(9-14)7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyQCUHKVRLHRJMOO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.97
Rot. Bonds2

About 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 43114971) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID43114971
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCNC1(C#N)CCCc2cc(OC)ccc21
InChIInChI=1S/C13H16N2O/c1-15-13(9-14)7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyQCUHKVRLHRJMOO-UHFFFAOYSA-N
XLogP1.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 55090777
7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79247587
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
7-methoxy-1-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79233457
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 68730786
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985
1-(2-chloroanilino)-6-methoxy-2,3-dihydroindene-1-carbonitrile
CID 79370255
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 43114971) is 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is CNC1(C#N)CCCc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is QCUHKVRLHRJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-13(9-14)7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 43114971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).