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

C23H34N2O2 — CID 54808028

IUPACN-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-9-18-26-21-14-12-20(13-15-21)24-16-17-25-22-10-7-8-11-23(22)27-19(2)3/h7-8,10-15,19,24-25H,4-6,9,16-18H2,1-3H3
InChIKeyBJPMTNJSDXWPHF-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.96
Rot. Bonds13

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

N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54808028) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54808028
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCCCOc1ccc(NCCNc2ccccc2OC(C)C)cc1
InChIInChI=1S/C23H34N2O2/c1-4-5-6-9-18-26-21-14-12-20(13-15-21)24-16-17-25-22-10-7-8-11-23(22)27-19(2)3/h7-8,10-15,19,24-25H,4-6,9,16-18H2,1-3H3
InChIKeyBJPMTNJSDXWPHF-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'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
N-[(2-hexoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799867
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
CID 54802429
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54808028) is N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CCCCCCOc1ccc(NCCNc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is BJPMTNJSDXWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-5-6-9-18-26-21-14-12-20(13-15-21)24-16-17-25-22-10-7-8-11-23(22)27-19(2)3/h7-8,10-15,19,24-25H,4-6,9,16-18H2,1-3H3.
What are the key properties of N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(4-hexoxyphenyl)-N'-(2-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-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).