N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

C20H28N2O — CID 54807439

IUPACN'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H28N2O/c1-15(2)23-19-9-7-18(8-10-19)14-21-11-12-22-20-13-16(3)5-6-17(20)4/h5-10,13,15,21-22H,11-12,14H2,1-4H3
InChIKeyMVKIXGPHJOXUEL-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.29
Rot. Bonds8

About N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54807439) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54807439
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C20H28N2O/c1-15(2)23-19-9-7-18(8-10-19)14-21-11-12-22-20-13-16(3)5-6-17(20)4/h5-10,13,15,21-22H,11-12,14H2,1-4H3
InChIKeyMVKIXGPHJOXUEL-UHFFFAOYSA-N
XLogP4.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.29
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-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
N-(2,5-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845352
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805668
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 54807439) is N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is Cc1ccc(C)c(NCCNCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is MVKIXGPHJOXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-15(2)23-19-9-7-18(8-10-19)14-21-11-12-22-20-13-16(3)5-6-17(20)4/h5-10,13,15,21-22H,11-12,14H2,1-4H3.
What are the key properties of N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54807439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).