N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine

C22H24N2O — CID 54806685

IUPACN'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(Oc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-24(18-19-8-4-2-5-9-19)17-16-23-20-12-14-22(15-13-20)25-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyORZCVKZCDRHTSV-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.02
Rot. Bonds8

About N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine

N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine (PubChem CID 54806685) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
PubChem CID54806685
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(Oc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-24(18-19-8-4-2-5-9-19)17-16-23-20-12-14-22(15-13-20)25-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3
InChIKeyORZCVKZCDRHTSV-UHFFFAOYSA-N
XLogP5.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
N-butyl-4-phenoxyaniline
CID 4712110
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine (CID 54806685) is N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine is CN(CCNc1ccc(Oc2ccccc2)cc1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine?
The InChIKey is ORZCVKZCDRHTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-24(18-19-8-4-2-5-9-19)17-16-23-20-12-14-22(15-13-20)25-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3.
What are the key properties of N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine?
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).