1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine

C16H25NO4 — CID 104749742

IUPAC1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
SMILESCOc1cc(OCC(N)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-18-14-8-12(9-15(19-2)16(14)20-3)21-10-13(17)11-6-4-5-7-11/h8-9,11,13H,4-7,10,17H2,1-3H3
InChIKeyXNEHZHJYGLJRBC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.61
Rot. Bonds7

About 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine

1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine (PubChem CID 104749742) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
PubChem CID104749742
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
SMILESCOc1cc(OCC(N)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-18-14-8-12(9-15(19-2)16(14)20-3)21-10-13(17)11-6-4-5-7-11/h8-9,11,13H,4-7,10,17H2,1-3H3
InChIKeyXNEHZHJYGLJRBC-UHFFFAOYSA-N
XLogP2.61
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-(3,5-dimethoxyphenoxy)ethanamine
CID 104749121
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 110181265
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
CID 103289339
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
1-cyclohexyl-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 104749060
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine (CID 104749742) is 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine is COc1cc(OCC(N)C2CCCC2)cc(OC)c1OC.
What is the InChIKey of 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
The InChIKey is XNEHZHJYGLJRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-18-14-8-12(9-15(19-2)16(14)20-3)21-10-13(17)11-6-4-5-7-11/h8-9,11,13H,4-7,10,17H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine?
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine is sourced from PubChem (CID 104749742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).