N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine

C16H25NO — CID 62572121

IUPACN-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
SMILESCc1cccc(OCCNCC2CCCC2)c1C
InChIInChI=1S/C16H25NO/c1-13-6-5-9-16(14(13)2)18-11-10-17-12-15-7-3-4-8-15/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3
InChIKeyMHXOZWJKMLSETR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine

N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine (PubChem CID 62572121) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
PubChem CID62572121
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
SMILESCc1cccc(OCCNCC2CCCC2)c1C
InChIInChI=1S/C16H25NO/c1-13-6-5-9-16(14(13)2)18-11-10-17-12-15-7-3-4-8-15/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3
InChIKeyMHXOZWJKMLSETR-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
CID 59854626
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine (CID 62572121) is N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine is Cc1cccc(OCCNCC2CCCC2)c1C.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine?
The InChIKey is MHXOZWJKMLSETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-5-9-16(14(13)2)18-11-10-17-12-15-7-3-4-8-15/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine?
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine is sourced from PubChem (CID 62572121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).