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

C24H36N2O2 — CID 54808512

IUPACN'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNc2ccccc2OCCCC)cc1
InChIInChI=1S/C24H36N2O2/c1-3-5-7-10-20-27-22-15-13-21(14-16-22)25-17-18-26-23-11-8-9-12-24(23)28-19-6-4-2/h8-9,11-16,25-26H,3-7,10,17-20H2,1-2H3
InChIKeySXJFPSAKKWLYRL-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.35
Rot. Bonds15

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

N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine (PubChem CID 54808512) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
PubChem CID54808512
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNc2ccccc2OCCCC)cc1
InChIInChI=1S/C24H36N2O2/c1-3-5-7-10-20-27-22-15-13-21(14-16-22)25-17-18-26-23-11-8-9-12-24(23)28-19-6-4-2/h8-9,11-16,25-26H,3-7,10,17-20H2,1-2H3
InChIKeySXJFPSAKKWLYRL-UHFFFAOYSA-N
XLogP6.35
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.35
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-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine (CID 54808512) is N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine is CCCCCCOc1ccc(NCCNc2ccccc2OCCCC)cc1.
What is the InChIKey of N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine?
The InChIKey is SXJFPSAKKWLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-5-7-10-20-27-22-15-13-21(14-16-22)25-17-18-26-23-11-8-9-12-24(23)28-19-6-4-2/h8-9,11-16,25-26H,3-7,10,17-20H2,1-2H3.
What are the key properties of N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine?
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine has a molecular weight of 384.56 g/mol, XLogP of 6.35, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).