2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile

C19H19N — CID 65408631

IUPAC2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCc1ccccc1CC1(C#N)CCc2ccccc2C1
InChIInChI=1S/C19H19N/c1-15-6-2-3-8-17(15)12-19(14-20)11-10-16-7-4-5-9-18(16)13-19/h2-9H,10-13H2,1H3
InChIKeyNWCSUAQDUOZRRS-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.24
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile

2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 65408631) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID65408631
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESCc1ccccc1CC1(C#N)CCc2ccccc2C1
InChIInChI=1S/C19H19N/c1-15-6-2-3-8-17(15)12-19(14-20)11-10-16-7-4-5-9-18(16)13-19/h2-9H,10-13H2,1H3
InChIKeyNWCSUAQDUOZRRS-UHFFFAOYSA-N
XLogP4.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 102863401
2-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 115984545
2-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65406711
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 114861522
2-(3-chloropropyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 83261182
2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 65408228
2-(2-methylpentyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65407860
2-[(2-methylphenyl)methyl]-1,3-dihydroinden-2-ol
CID 60797949
2-(2-propylsulfonylethyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 106734006
2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
CID 79131493
2-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65406904
7-[(4-chloro-2-iodophenyl)methyl]-5,6,8,9-tetrahydrobenzo[7]annulene-7-carbonitrile
CID 58197710

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 65408631) is 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile is Cc1ccccc1CC1(C#N)CCc2ccccc2C1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is NWCSUAQDUOZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-15-6-2-3-8-17(15)12-19(14-20)11-10-16-7-4-5-9-18(16)13-19/h2-9H,10-13H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile?
2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 65408631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).