N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

C19H26N2O — CID 54807029

IUPACN'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(NCCNCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O/c1-15(2)22-19-10-6-17(7-11-19)14-20-12-13-21-18-8-4-16(3)5-9-18/h4-11,15,20-21H,12-14H2,1-3H3
InChIKeySOBRRGTZAOMPJH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.98
Rot. Bonds8

About N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54807029) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54807029
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(NCCNCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O/c1-15(2)22-19-10-6-17(7-11-19)14-20-12-13-21-18-8-4-16(3)5-9-18/h4-11,15,20-21H,12-14H2,1-3H3
InChIKeySOBRRGTZAOMPJH-UHFFFAOYSA-N
XLogP3.98
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]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'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807439
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805668
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
N'-(3-heptoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808048
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 54807029) is N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is Cc1ccc(NCCNCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is SOBRRGTZAOMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(2)22-19-10-6-17(7-11-19)14-20-12-13-21-18-8-4-16(3)5-9-18/h4-11,15,20-21H,12-14H2,1-3H3.
What are the key properties of N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54807029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).