1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine

C15H23NO — CID 104748507

IUPAC1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)C2CCCC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-8-14(9-12(11)2)17-10-15(16)13-5-3-4-6-13/h7-9,13,15H,3-6,10,16H2,1-2H3
InChIKeyNIIOSYBQJPPLIP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds4

About 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine

1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine (PubChem CID 104748507) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
PubChem CID104748507
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
SMILESCc1ccc(OCC(N)C2CCCC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-8-14(9-12(11)2)17-10-15(16)13-5-3-4-6-13/h7-9,13,15H,3-6,10,16H2,1-2H3
InChIKeyNIIOSYBQJPPLIP-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 104749742
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
2-(4-tert-butyl-2-methylphenoxy)-1-cyclohexylethanamine
CID 104749049

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine (CID 104748507) is 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine is Cc1ccc(OCC(N)C2CCCC2)cc1C.
What is the InChIKey of 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine?
The InChIKey is NIIOSYBQJPPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-8-14(9-12(11)2)17-10-15(16)13-5-3-4-6-13/h7-9,13,15H,3-6,10,16H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine?
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine is sourced from PubChem (CID 104748507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).