1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine

C17H19Cl2N — CID 44568689

IUPAC1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)c1ccccc1CN(C)C
InChIInChI=1S/C17H19Cl2N/c1-12(13-8-9-16(18)17(19)10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11H2,1-3H3
InChIKeyLLTVABOFFOVVKQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.21
Rot. Bonds4

About 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine

1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 44568689) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine
PubChem CID44568689
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)c1ccccc1CN(C)C
InChIInChI=1S/C17H19Cl2N/c1-12(13-8-9-16(18)17(19)10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11H2,1-3H3
InChIKeyLLTVABOFFOVVKQ-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine (CID 44568689) is 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine is CC(c1ccc(Cl)c(Cl)c1)c1ccccc1CN(C)C.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is LLTVABOFFOVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(13-8-9-16(18)17(19)10-13)15-7-5-4-6-14(15)11-20(2)3/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)ethyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44568689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).