N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine

C23H26N2O — CID 54806372

IUPACN'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-2-25(21-13-7-4-8-14-21)18-17-24-22-15-9-10-16-23(22)26-19-20-11-5-3-6-12-20/h3-16,24H,2,17-19H2,1H3
InChIKeyNZCVMQOQTBGSSC-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.20
Rot. Bonds9

About N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine

N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 54806372) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID54806372
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-2-25(21-13-7-4-8-14-21)18-17-24-22-15-9-10-16-23(22)26-19-20-11-5-3-6-12-20/h3-16,24H,2,17-19H2,1H3
InChIKeyNZCVMQOQTBGSSC-UHFFFAOYSA-N
XLogP5.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805607
N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806037
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
N-(4-butoxyphenyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 54806162
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
methyl 4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoate
CID 22675546
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
4-[(N-ethyl-2-phenylmethoxyanilino)methyl]benzoic acid
CID 22675483

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine (CID 54806372) is N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine is CCN(CCNc1ccccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is NZCVMQOQTBGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-25(21-13-7-4-8-14-21)18-17-24-22-15-9-10-16-23(22)26-19-20-11-5-3-6-12-20/h3-16,24H,2,17-19H2,1H3.
What are the key properties of N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine?
N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 346.47 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).