N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine

C22H32N2 — CID 44588111

IUPACN-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc(CN(CC)CC)cc2)cc1
InChIInChI=1S/C22H32N2/c1-5-23(6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-24(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3
InChIKeyFFHSGMKASIXTRS-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.04
Rot. Bonds9

About N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine

N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine (PubChem CID 44588111) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine
PubChem CID44588111
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC NameN-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc(CN(CC)CC)cc2)cc1
InChIInChI=1S/C22H32N2/c1-5-23(6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-24(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3
InChIKeyFFHSGMKASIXTRS-UHFFFAOYSA-N
XLogP5.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine (CID 44588111) is N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(-c2ccc(CN(CC)CC)cc2)cc1.
What is the InChIKey of N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine?
The InChIKey is FFHSGMKASIXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-5-23(6-2)17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-24(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3.
What are the key properties of N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine?
N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine has a molecular weight of 324.51 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 44588111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).