2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline

C20H26Cl2N2 — CID 139244634

IUPAC2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(N(CC)CC)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H26Cl2N2/c1-5-23(6-2)19-11-9-15(13-17(19)21)16-10-12-20(18(22)14-16)24(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyBUMJQLBEIADPCL-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.35
Rot. Bonds7

About 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline

2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline (PubChem CID 139244634) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline
PubChem CID139244634
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC Name2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(N(CC)CC)c(Cl)c2)cc1Cl
InChIInChI=1S/C20H26Cl2N2/c1-5-23(6-2)19-11-9-15(13-17(19)21)16-10-12-20(18(22)14-16)24(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyBUMJQLBEIADPCL-UHFFFAOYSA-N
XLogP6.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline?
The IUPAC name of 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline (CID 139244634) is 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline.
What is the SMILES notation for 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline?
The canonical SMILES for 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2ccc(N(CC)CC)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline?
The InChIKey is BUMJQLBEIADPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2/c1-5-23(6-2)19-11-9-15(13-17(19)21)16-10-12-20(18(22)14-16)24(7-3)8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline?
2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline has a molecular weight of 365.35 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-chloro-4-(diethylamino)phenyl]-N,N-diethylaniline is sourced from PubChem (CID 139244634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).