N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine

C20H28N2O — CID 23394676

IUPACN'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCNCCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H28N2O/c1-17-3-5-18(6-4-17)11-13-21-15-16-22-14-12-19-7-9-20(23-2)10-8-19/h3-10,21-22H,11-16H2,1-2H3
InChIKeySBIGMXVMIMJAJD-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.97
Rot. Bonds10

About N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine

N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 23394676) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID23394676
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCNCCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H28N2O/c1-17-3-5-18(6-4-17)11-13-21-15-16-22-14-12-19-7-9-20(23-2)10-8-19/h3-10,21-22H,11-16H2,1-2H3
InChIKeySBIGMXVMIMJAJD-UHFFFAOYSA-N
XLogP2.97
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine (CID 23394676) is N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine is COc1ccc(CCNCCNCCc2ccc(C)cc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is SBIGMXVMIMJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-17-3-5-18(6-4-17)11-13-21-15-16-22-14-12-19-7-9-20(23-2)10-8-19/h3-10,21-22H,11-16H2,1-2H3.
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23394676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).