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

C14H18N2O2 — CID 55090777

IUPAC1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)CCCC2(C#N)NCCO
InChIInChI=1S/C14H18N2O2/c1-18-12-4-5-13-11(9-12)3-2-6-14(13,10-15)16-7-8-17/h4-5,9,16-17H,2-3,6-8H2,1H3
InChIKeyONGYQNAAVXSCMO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.33
Rot. Bonds4

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

1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 55090777) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID55090777
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCOc1ccc2c(c1)CCCC2(C#N)NCCO
InChIInChI=1S/C14H18N2O2/c1-18-12-4-5-13-11(9-12)3-2-6-14(13,10-15)16-7-8-17/h4-5,9,16-17H,2-3,6-8H2,1H3
InChIKeyONGYQNAAVXSCMO-UHFFFAOYSA-N
XLogP1.33
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1-(methylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43114971
7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79247587
7-methoxy-1-(thiophen-2-ylmethylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79233457
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
1-(cyanomethyl)-5-methoxy-2,3-dihydroindene-1-carbonitrile
CID 12938512
2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
CID 103376928
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
1-(cyanomethyl)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 12629985
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 55090777) is 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is COc1ccc2c(c1)CCCC2(C#N)NCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is ONGYQNAAVXSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-12-4-5-13-11(9-12)3-2-6-14(13,10-15)16-7-8-17/h4-5,9,16-17H,2-3,6-8H2,1H3.
What are the key properties of 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 55090777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).