3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile

C19H15N — CID 10422595

IUPAC3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile
SMILESCc1ccc(Cc2cc(C#N)c3ccccc3c2)cc1
InChIInChI=1S/C19H15N/c1-14-6-8-15(9-7-14)10-16-11-17-4-2-3-5-19(17)18(12-16)13-20/h2-9,11-12H,10H2,1H3
InChIKeyZYKMYHOLKIPJTN-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.61
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile

3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile (PubChem CID 10422595) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile
PubChem CID10422595
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile
SMILESCc1ccc(Cc2cc(C#N)c3ccccc3c2)cc1
InChIInChI=1S/C19H15N/c1-14-6-8-15(9-7-14)10-16-11-17-4-2-3-5-19(17)18(12-16)13-20/h2-9,11-12H,10H2,1H3
InChIKeyZYKMYHOLKIPJTN-UHFFFAOYSA-N
XLogP4.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(4-methylphenyl)methyl]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

1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene;ethane;1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 158460145
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
naphthalene-1-carbonitrile;sulfane
CID 175607355
ethyl 4-[(4-methylphenyl)methyl]naphthalene-2-carboxylate
CID 135069331
1-benzyl-4-methylbenzene;toluene
CID 144690555
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
3-benzhydrylnaphthalene-1-carbonitrile
CID 10448641
10,16-bis[(4-methylphenyl)methyl]-12,14-dioxa-13λ6-thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13,13-dioxide
CID 59155403
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile?
The IUPAC name of 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile (CID 10422595) is 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile?
The canonical SMILES for 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile is Cc1ccc(Cc2cc(C#N)c3ccccc3c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile?
The InChIKey is ZYKMYHOLKIPJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-14-6-8-15(9-7-14)10-16-11-17-4-2-3-5-19(17)18(12-16)13-20/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile?
3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 10422595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).