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

C22H32N2O — CID 54807388

IUPACN'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNCCc2ccccc2)c1
InChIInChI=1S/C22H32N2O/c1-2-3-4-8-18-25-22-13-9-12-21(19-22)24-17-16-23-15-14-20-10-6-5-7-11-20/h5-7,9-13,19,23-24H,2-4,8,14-18H2,1H3
InChIKeyFCXLMTPCYWCTPI-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.89
Rot. Bonds13

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

N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 54807388) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID54807388
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCCCCCOc1cccc(NCCNCCc2ccccc2)c1
InChIInChI=1S/C22H32N2O/c1-2-3-4-8-18-25-22-13-9-12-21(19-22)24-17-16-23-15-14-20-10-6-5-7-11-20/h5-7,9-13,19,23-24H,2-4,8,14-18H2,1H3
InChIKeyFCXLMTPCYWCTPI-UHFFFAOYSA-N
XLogP4.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.89
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

3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N'-(3-heptoxyphenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806056
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
3-butoxy-N-octylaniline
CID 54800685
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
3-butoxy-N-[2-(4-chlorophenyl)ethyl]aniline
CID 54800672
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (CID 54807388) is N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is CCCCCCOc1cccc(NCCNCCc2ccccc2)c1.
What is the InChIKey of N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is FCXLMTPCYWCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-2-3-4-8-18-25-22-13-9-12-21(19-22)24-17-16-23-15-14-20-10-6-5-7-11-20/h5-7,9-13,19,23-24H,2-4,8,14-18H2,1H3.
What are the key properties of N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 340.51 g/mol, XLogP of 4.89, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).