N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C19H26N2O — CID 54806850

IUPACN'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNc1ccc(C)cc1
InChIInChI=1S/C19H26N2O/c1-3-4-15-22-19-8-6-5-7-18(19)21-14-13-20-17-11-9-16(2)10-12-17/h5-12,20-21H,3-4,13-15H2,1-2H3
InChIKeyFYSXXEJRVOWEFB-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.70
Rot. Bonds9

About N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 54806850) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID54806850
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNc1ccc(C)cc1
InChIInChI=1S/C19H26N2O/c1-3-4-15-22-19-8-6-5-7-18(19)21-14-13-20-17-11-9-16(2)10-12-17/h5-12,20-21H,3-4,13-15H2,1-2H3
InChIKeyFYSXXEJRVOWEFB-UHFFFAOYSA-N
XLogP4.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.70
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-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
4-(2-butoxyanilino)butan-1-ol
CID 54803446
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
CID 54809931
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 54806850) is N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is CCCCOc1ccccc1NCCNc1ccc(C)cc1.
What is the InChIKey of N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is FYSXXEJRVOWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-4-15-22-19-8-6-5-7-18(19)21-14-13-20-17-11-9-16(2)10-12-17/h5-12,20-21H,3-4,13-15H2,1-2H3.
What are the key properties of N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).