3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine

C14H22N2O — CID 63826208

IUPAC3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
SMILESNc1cccc(NCCOC2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c15-12-5-4-6-13(11-12)16-9-10-17-14-7-2-1-3-8-14/h4-6,11,14,16H,1-3,7-10,15H2
InChIKeyUHNSODUUJJLCJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds5

About 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine

3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine (PubChem CID 63826208) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
PubChem CID63826208
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
SMILESNc1cccc(NCCOC2CCCCC2)c1
InChIInChI=1S/C14H22N2O/c15-12-5-4-6-13(11-12)16-9-10-17-14-7-2-1-3-8-14/h4-6,11,14,16H,1-3,7-10,15H2
InChIKeyUHNSODUUJJLCJJ-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
3-fluoro-N-[2-(oxan-4-yloxy)ethyl]aniline
CID 55093412
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
4-(2-cyclopentyloxyethylamino)-2-fluorobenzenecarbothioamide
CID 115368354

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine (CID 63826208) is 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine is Nc1cccc(NCCOC2CCCCC2)c1.
What is the InChIKey of 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine?
The InChIKey is UHNSODUUJJLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-12-5-4-6-13(11-12)16-9-10-17-14-7-2-1-3-8-14/h4-6,11,14,16H,1-3,7-10,15H2.
What are the key properties of 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine?
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine is sourced from PubChem (CID 63826208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).