N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine

C14H21NO2 — CID 83229346

IUPACN-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NOC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-17-13-7-3-4-8-13)12-6-5-9-14(10-12)16-2/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3
InChIKeyQJVXJINORUTEBI-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.22
Rot. Bonds5

About N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine

N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine (PubChem CID 83229346) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
PubChem CID83229346
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NOC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-11(15-17-13-7-3-4-8-13)12-6-5-9-14(10-12)16-2/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3
InChIKeyQJVXJINORUTEBI-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
[2-cyclopropyl-1-(3-methoxyphenyl)propyl]hydrazine
CID 105283576
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663
N-cyclopentyloxy-1-pyridin-4-ylethanamine
CID 83229742
N-cyclopentyloxy-1-(4-iodophenyl)ethanamine
CID 83229254

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine (CID 83229346) is N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine?
The InChIKey is QJVXJINORUTEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-17-13-7-3-4-8-13)12-6-5-9-14(10-12)16-2/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine?
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 83229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).