2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

C21H24N2O — CID 10018926

IUPAC2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCC(C)Oc1ccc2c(c1)CCC(C#N)(NCc1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-16(2)24-20-9-8-19-13-21(15-22,11-10-18(19)12-20)23-14-17-6-4-3-5-7-17/h3-9,12,16,23H,10-11,13-14H2,1-2H3
InChIKeyIEGIOQKXKMYRIJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.01
Rot. Bonds5

About 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 10018926) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID10018926
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCC(C)Oc1ccc2c(c1)CCC(C#N)(NCc1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-16(2)24-20-9-8-19-13-21(15-22,11-10-18(19)12-20)23-14-17-6-4-3-5-7-17/h3-9,12,16,23H,10-11,13-14H2,1-2H3
InChIKeyIEGIOQKXKMYRIJ-UHFFFAOYSA-N
XLogP4.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-propan-2-yloxyaniline
CID 28969524
5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
CID 22898535
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837097
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide
CID 124617078
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolan-3-amine
CID 113338525
1-(benzylamino)-6-bromo-2,3-dihydroindene-1-carbonitrile
CID 130501844

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 10018926) is 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is CC(C)Oc1ccc2c(c1)CCC(C#N)(NCc1ccccc1)C2.
What is the InChIKey of 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is IEGIOQKXKMYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16(2)24-20-9-8-19-13-21(15-22,11-10-18(19)12-20)23-14-17-6-4-3-5-7-17/h3-9,12,16,23H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-propan-2-yloxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 10018926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).