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

C23H34N2O2 — CID 54808553

IUPACN'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-7-17-26-23-10-8-9-21(18-23)25-16-15-24-20-11-13-22(14-12-20)27-19(2)3/h8-14,18-19,24-25H,4-7,15-17H2,1-3H3
InChIKeyJCHPKBLIRRYPST-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.96
Rot. Bonds13

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

N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54808553) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54808553
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-7-17-26-23-10-8-9-21(18-23)25-16-15-24-20-11-13-22(14-12-20)27-19(2)3/h8-14,18-19,24-25H,4-7,15-17H2,1-3H3
InChIKeyJCHPKBLIRRYPST-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
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
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N'-[3-(3-methylbutoxy)phenyl]-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808037
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
3-butoxy-N-octylaniline
CID 54800685
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N-(4-hexoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806257
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922

Frequently Asked Questions

What is the IUPAC name of N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54808553) is N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CCCCCCOc1cccc(NCCNc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is JCHPKBLIRRYPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-5-6-7-17-26-23-10-8-9-21(18-23)25-16-15-24-20-11-13-22(14-12-20)27-19(2)3/h8-14,18-19,24-25H,4-7,15-17H2,1-3H3.
What are the key properties of N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(3-hexoxyphenyl)-N-(4-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-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).