N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C19H26N2O — CID 54805668

IUPACN'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-14(2)22-18-8-6-17(7-9-18)20-11-12-21-19-10-5-15(3)13-16(19)4/h5-10,13-14,20-21H,11-12H2,1-4H3
InChIKeyHRBBUMHIXSQPJR-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.61
Rot. Bonds7

About N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54805668) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54805668
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-14(2)22-18-8-6-17(7-9-18)20-11-12-21-19-10-5-15(3)13-16(19)4/h5-10,13-14,20-21H,11-12H2,1-4H3
InChIKeyHRBBUMHIXSQPJR-UHFFFAOYSA-N
XLogP4.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.61
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'}

Analyze N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108986808
N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807439
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
3-N-(2,4-dimethylphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963071
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54805668) is N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is Cc1ccc(NCCNc2ccc(OC(C)C)cc2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is HRBBUMHIXSQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(2)22-18-8-6-17(7-9-18)20-11-12-21-19-10-5-15(3)13-16(19)4/h5-10,13-14,20-21H,11-12H2,1-4H3.
What are the key properties of N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).