2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine

C20H28N2 — CID 44588277

IUPAC2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(-c2ccc(CCN(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-21(2)15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22(3)4/h5-12H,13-16H2,1-4H3
InChIKeyNNZKEFVRSFSLAG-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.56
Rot. Bonds7

About 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine

2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine (PubChem CID 44588277) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine
PubChem CID44588277
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(-c2ccc(CCN(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-21(2)15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22(3)4/h5-12H,13-16H2,1-4H3
InChIKeyNNZKEFVRSFSLAG-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine (CID 44588277) is 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine is CN(C)CCc1ccc(-c2ccc(CCN(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine?
The InChIKey is NNZKEFVRSFSLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-21(2)15-13-17-5-9-19(10-6-17)20-11-7-18(8-12-20)14-16-22(3)4/h5-12H,13-16H2,1-4H3.
What are the key properties of 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine?
2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 296.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 44588277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).