N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine

C19H31NO2 — CID 59854626

IUPACN-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
SMILESCc1cccc(OCCCNCCOC2CCCCC2)c1C
InChIInChI=1S/C19H31NO2/c1-16-8-6-11-19(17(16)2)22-14-7-12-20-13-15-21-18-9-4-3-5-10-18/h6,8,11,18,20H,3-5,7,9-10,12-15H2,1-2H3
InChIKeyOGJSWCGYZHTAIB-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.01
Rot. Bonds9

About N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine

N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine (PubChem CID 59854626) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
PubChem CID59854626
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
SMILESCc1cccc(OCCCNCCOC2CCCCC2)c1C
InChIInChI=1S/C19H31NO2/c1-16-8-6-11-19(17(16)2)22-14-7-12-20-13-15-21-18-9-4-3-5-10-18/h6,8,11,18,20H,3-5,7,9-10,12-15H2,1-2H3
InChIKeyOGJSWCGYZHTAIB-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 55088214
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine (CID 59854626) is N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine is Cc1cccc(OCCCNCCOC2CCCCC2)c1C.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine?
The InChIKey is OGJSWCGYZHTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16-8-6-11-19(17(16)2)22-14-7-12-20-13-15-21-18-9-4-3-5-10-18/h6,8,11,18,20H,3-5,7,9-10,12-15H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine?
N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 59854626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).