(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine

C23H21Cl2N — CID 67906042

IUPAC(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCNC1(c2ccccc2)CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C23H21Cl2N/c1-26-23(17-7-3-2-4-8-17)14-13-18(19-9-5-6-10-20(19)23)16-11-12-21(24)22(25)15-16/h2-12,15,18,26H,13-14H2,1H3/t18-,23?/m1/s1
InChIKeyFPEHYXZRLRJBAX-FKSKYRLFSA-N
MW382.33 g/mol
LogP6.38
Rot. Bonds3

About (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine

(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 67906042) has the molecular formula C23H21Cl2N and a molecular weight of 382.33 g/mol. Its IUPAC name is (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID67906042
Molecular FormulaC23H21Cl2N
Molecular Weight382.33 g/mol
Exact Mass381.11
IUPAC Name(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCNC1(c2ccccc2)CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C23H21Cl2N/c1-26-23(17-7-3-2-4-8-17)14-13-18(19-9-5-6-10-20(19)23)16-11-12-21(24)22(25)15-16/h2-12,15,18,26H,13-14H2,1H3/t18-,23?/m1/s1
InChIKeyFPEHYXZRLRJBAX-FKSKYRLFSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine (CID 67906042) is (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine is CNC1(c2ccccc2)CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is FPEHYXZRLRJBAX-FKSKYRLFSA-N. The full InChI is InChI=1S/C23H21Cl2N/c1-26-23(17-7-3-2-4-8-17)14-13-18(19-9-5-6-10-20(19)23)16-11-12-21(24)22(25)15-16/h2-12,15,18,26H,13-14H2,1H3/t18-,23?/m1/s1.
What are the key properties of (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine?
(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 382.33 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 67906042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).