6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

C13H15BrN2 — CID 63630988

IUPAC6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCCNC1(C#N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H15BrN2/c1-2-16-13(9-15)6-5-10-7-12(14)4-3-11(10)8-13/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyPXPJGYHNRJWAQY-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.81
Rot. Bonds2

About 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile

6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 63630988) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID63630988
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCCNC1(C#N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H15BrN2/c1-2-16-13(9-15)6-5-10-7-12(14)4-3-11(10)8-13/h3-4,7,16H,2,5-6,8H2,1H3
InChIKeyPXPJGYHNRJWAQY-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-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-bromo-2-(2-chloroanilino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632225
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10018926
6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79567932
2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine
CID 65385569
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 63630988) is 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is CCNC1(C#N)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is PXPJGYHNRJWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-2-16-13(9-15)6-5-10-7-12(14)4-3-11(10)8-13/h3-4,7,16H,2,5-6,8H2,1H3.
What are the key properties of 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile?
6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 279.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 63630988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).