(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine

C24H21Cl2N — CID 138728521

IUPAC(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESC[C@@H](/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21Cl2N/c1-16(17-7-3-2-4-8-17)27-24-14-12-19(20-9-5-6-10-21(20)24)18-11-13-22(25)23(26)15-18/h2-11,13,15-16,19H,12,14H2,1H3/b27-24+/t16-,19+/m1/s1
InChIKeyLFYWTRDECBUPIG-ZLZKWZCPSA-N
MW394.35 g/mol
LogP7.47
Rot. Bonds3

About (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine

(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 138728521) has the molecular formula C24H21Cl2N and a molecular weight of 394.35 g/mol. Its IUPAC name is (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID138728521
Molecular FormulaC24H21Cl2N
Molecular Weight394.35 g/mol
Exact Mass393.11
IUPAC Name(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESC[C@@H](/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21Cl2N/c1-16(17-7-3-2-4-8-17)27-24-14-12-19(20-9-5-6-10-21(20)24)18-11-13-22(25)23(26)15-18/h2-11,13,15-16,19H,12,14H2,1H3/b27-24+/t16-,19+/m1/s1
InChIKeyLFYWTRDECBUPIG-ZLZKWZCPSA-N
XLogP7.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine (CID 138728521) is (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine is C[C@@H](/N=C1\CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1.
What is the InChIKey of (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is LFYWTRDECBUPIG-ZLZKWZCPSA-N. The full InChI is InChI=1S/C24H21Cl2N/c1-16(17-7-3-2-4-8-17)27-24-14-12-19(20-9-5-6-10-21(20)24)18-11-13-22(25)23(26)15-18/h2-11,13,15-16,19H,12,14H2,1H3/b27-24+/t16-,19+/m1/s1.
What are the key properties of (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine?
(4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 394.35 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 138728521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).