2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine

C17H14ClN — CID 21122784

IUPAC2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine
SMILESCc1ccc(/N=C2/c3ccccc3C=CC2Cl)cc1
InChIInChI=1S/C17H14ClN/c1-12-6-9-14(10-7-12)19-17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11,16H,1H3/b19-17-
InChIKeyWQXMDRDNXXBSCA-ZPHPHTNESA-N
MW267.76 g/mol
LogP4.75
Rot. Bonds1

About 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine

2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine (PubChem CID 21122784) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine
PubChem CID21122784
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine
SMILESCc1ccc(/N=C2/c3ccccc3C=CC2Cl)cc1
InChIInChI=1S/C17H14ClN/c1-12-6-9-14(10-7-12)19-17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11,16H,1H3/b19-17-
InChIKeyWQXMDRDNXXBSCA-ZPHPHTNESA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid
CID 166594842
1-chloro-1H-indene;titanium;dihydrochloride
CID 174637282
3-(4-methylphenyl)iminoisoindol-1-one
CID 135932532
4-[[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)iminonaphthalen-1-ylidene]methyl]-N,N-dimethylaniline
CID 21123860
4-(diisocyanomethylidene)-N-(4-methylphenyl)naphthalen-1-imine
CID 54167851
N-bis(2,3,4,5,6-pentafluorophenyl)boranyl-N-(4-methylphenyl)-10-(4-methylphenyl)imino-9H-phenanthren-9-amine
CID 132500808
1-chloro-1H-phenalene
CID 118456888
1-(4-methylphenyl)-2H-benzo[a]quinolizin-2-amine;dihydrochloride
CID 70550287
bis(4-methylphenyl)diazene
CID 10389
5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
CID 143619734
benzene;bis(1,4-xylene)
CID 159472747
9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one
CID 10872255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine?
The IUPAC name of 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine (CID 21122784) is 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine is Cc1ccc(/N=C2/c3ccccc3C=CC2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine?
The InChIKey is WQXMDRDNXXBSCA-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14ClN/c1-12-6-9-14(10-7-12)19-17-15-5-3-2-4-13(15)8-11-16(17)18/h2-11,16H,1H3/b19-17-.
What are the key properties of 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine?
2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine has a molecular weight of 267.76 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)-2H-naphthalen-1-imine is sourced from PubChem (CID 21122784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).