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

C15H24N2O — CID 115550552

IUPAC2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O/c1-12-6-5-9-14(16)15(12)17-10-11-18-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3
InChIKeyBJHHFKMWEGAFHU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds5

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

2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550552) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
PubChem CID115550552
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NCCOC1CCCCC1
InChIInChI=1S/C15H24N2O/c1-12-6-5-9-14(16)15(12)17-10-11-18-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3
InChIKeyBJHHFKMWEGAFHU-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
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

3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
CID 115550147
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
CID 59854626
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine (CID 115550552) is 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NCCOC1CCCCC1.
What is the InChIKey of 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine?
The InChIKey is BJHHFKMWEGAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-5-9-14(16)15(12)17-10-11-18-13-7-3-2-4-8-13/h5-6,9,13,17H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine?
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).