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

C23H34N2O2 — CID 54808523

IUPACN-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-7-16-26-22-12-8-10-20(17-22)24-14-15-25-21-11-9-13-23(18-21)27-19(2)3/h8-13,17-19,24-25H,4-7,14-16H2,1-3H3
InChIKeyJAOVCDHXTZPJGR-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.96
Rot. Bonds13

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

N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54808523) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54808523
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-7-16-26-22-12-8-10-20(17-22)24-14-15-25-21-11-9-13-23(18-21)27-19(2)3/h8-13,17-19,24-25H,4-7,14-16H2,1-3H3
InChIKeyJAOVCDHXTZPJGR-UHFFFAOYSA-N
XLogP5.96
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N'-(3-heptoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808048
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
3-butoxy-N-octylaniline
CID 54800685
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54808523) is N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is CCCCCCOc1cccc(NCCNc2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is JAOVCDHXTZPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-5-6-7-16-26-22-12-8-10-20(17-22)24-14-15-25-21-11-9-13-23(18-21)27-19(2)3/h8-13,17-19,24-25H,4-7,14-16H2,1-3H3.
What are the key properties of N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 370.54 g/mol, XLogP of 5.96, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).