4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine

C16H14ClN — CID 57273771

IUPAC4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
SMILES[H]/N=C1\Cc2ccccc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H14ClN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1-8,16,18H,9-10H2/b18-14+
InChIKeyPHOMCCRDKPVCIY-NBVRZTHBSA-N
MW255.75 g/mol
LogP4.44
Rot. Bonds1

About 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine

4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine (PubChem CID 57273771) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
PubChem CID57273771
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine
SMILES[H]/N=C1\Cc2ccccc2C(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H14ClN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1-8,16,18H,9-10H2/b18-14+
InChIKeyPHOMCCRDKPVCIY-NBVRZTHBSA-N
XLogP4.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
ethane;4-(3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-one
CID 166479863
3-phenyl-2,3-dihydroinden-1-imine
CID 89129841
(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497717
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208
3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
CID 18675452
(1R,3R)-1-[3-(4-chlorophenyl)phenyl]-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 166479964
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
CID 174623974
1-chloro-3-cyclobutylbenzene;methane
CID 178166077

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine?
The IUPAC name of 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine (CID 57273771) is 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine.
What is the SMILES notation for 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine?
The canonical SMILES for 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine is [H]/N=C1\Cc2ccccc2C(c2cccc(Cl)c2)C1.
What is the InChIKey of 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine?
The InChIKey is PHOMCCRDKPVCIY-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H14ClN/c17-13-6-3-5-11(8-13)16-10-14(18)9-12-4-1-2-7-15(12)16/h1-8,16,18H,9-10H2/b18-14+.
What are the key properties of 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine?
4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine has a molecular weight of 255.75 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3,4-dihydro-1H-naphthalen-2-imine is sourced from PubChem (CID 57273771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).