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

C19H26N2O — CID 54805421

IUPACN-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2OC(C)C)cc1C
InChIInChI=1S/C19H26N2O/c1-14(2)22-19-8-6-5-7-18(19)21-12-11-20-17-10-9-15(3)16(4)13-17/h5-10,13-14,20-21H,11-12H2,1-4H3
InChIKeyILSKUCOMQMHRPN-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.61
Rot. Bonds7

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

N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54805421) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54805421
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2OC(C)C)cc1C
InChIInChI=1S/C19H26N2O/c1-14(2)22-19-8-6-5-7-18(19)21-12-11-20-17-10-9-15(3)16(4)13-17/h5-10,13-14,20-21H,11-12H2,1-4H3
InChIKeyILSKUCOMQMHRPN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806037
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54805421) is N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is Cc1ccc(NCCNc2ccccc2OC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is ILSKUCOMQMHRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(2)22-19-8-6-5-7-18(19)21-12-11-20-17-10-9-15(3)16(4)13-17/h5-10,13-14,20-21H,11-12H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(3,4-dimethylphenyl)-N'-(2-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-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54805421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).