1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine

C25H24ClN — CID 57048109

IUPAC1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2CC1
InChIInChI=1S/C25H24ClN/c1-27(2)17-22-9-8-21-16-20(18-10-13-23(26)14-11-18)12-15-24(21)25(22)19-6-4-3-5-7-19/h3-7,10-16H,8-9,17H2,1-2H3
InChIKeyZZQSNSPUUOEQAH-UHFFFAOYSA-N
MW373.93 g/mol
LogP6.32
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine

1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine (PubChem CID 57048109) has the molecular formula C25H24ClN and a molecular weight of 373.93 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine
PubChem CID57048109
Molecular FormulaC25H24ClN
Molecular Weight373.93 g/mol
Exact Mass373.16
IUPAC Name1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2CC1
InChIInChI=1S/C25H24ClN/c1-27(2)17-22-9-8-21-16-20(18-10-13-23(26)14-11-18)12-15-24(21)25(22)19-6-4-3-5-7-19/h3-7,10-16H,8-9,17H2,1-2H3
InChIKeyZZQSNSPUUOEQAH-UHFFFAOYSA-N
XLogP6.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.93
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine (CID 57048109) is 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine is CN(C)CC1=C(c2ccccc2)c2ccc(-c3ccc(Cl)cc3)cc2CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is ZZQSNSPUUOEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN/c1-27(2)17-22-9-8-21-16-20(18-10-13-23(26)14-11-18)12-15-24(21)25(22)19-6-4-3-5-7-19/h3-7,10-16H,8-9,17H2,1-2H3.
What are the key properties of 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine?
1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 373.93 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 57048109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).