N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

C17H22N2O — CID 54805936

IUPACN'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2cccc(C)c2C)cc1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-17(14(13)2)19-12-11-18-15-7-9-16(20-3)10-8-15/h4-10,18-19H,11-12H2,1-3H3
InChIKeyVNFQLGZCBDQXKS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.84
Rot. Bonds6

About N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 54805936) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID54805936
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(NCCNc2cccc(C)c2C)cc1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-17(14(13)2)19-12-11-18-15-7-9-16(20-3)10-8-15/h4-10,18-19H,11-12H2,1-3H3
InChIKeyVNFQLGZCBDQXKS-UHFFFAOYSA-N
XLogP3.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
N-(2,3-dimethylphenyl)-3-(4-methoxyanilino)propanamide
CID 109035957
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N'-(3-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)ethane-1,2-diamine
CID 54805427
N'-(3-chloro-2-methylphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805636
N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809532
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine (CID 54805936) is N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(NCCNc2cccc(C)c2C)cc1.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is VNFQLGZCBDQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-4-6-17(14(13)2)19-12-11-18-15-7-9-16(20-3)10-8-15/h4-10,18-19H,11-12H2,1-3H3.
What are the key properties of N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine?
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).