(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

C21H28N2O2 — CID 99948017

IUPAC(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
SMILESCOC[C@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1
InChIInChI=1S/C21H28N2O2/c1-23(20(16-24-2)19-12-7-8-14-22-19)15-17-9-3-6-13-21(17)25-18-10-4-5-11-18/h3,6-9,12-14,18,20H,4-5,10-11,15-16H2,1-2H3/t20-/m1/s1
InChIKeyUHRRQQMKQPRIOP-HXUWFJFHSA-N
MW340.47 g/mol
LogP4.22
Rot. Bonds8

About (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 99948017) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
PubChem CID99948017
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
SMILESCOC[C@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1
InChIInChI=1S/C21H28N2O2/c1-23(20(16-24-2)19-12-7-8-14-22-19)15-17-9-3-6-13-21(17)25-18-10-4-5-11-18/h3,6-9,12-14,18,20H,4-5,10-11,15-16H2,1-2H3/t20-/m1/s1
InChIKeyUHRRQQMKQPRIOP-HXUWFJFHSA-N
XLogP4.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
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CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
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3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-styryl)-pyridine
CID 22872637
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenethyl-pyridine
CID 44371959
US10155760, Example 49
CID 118420369
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
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1-{4-[2,4-Bis-(1,1-dimethyl-propyl)-phenoxy]-butyl}-2,3-dimethyl-pyridinium
CID 16681765

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine (CID 99948017) is (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine is COC[C@H](c1ccccn1)N(C)Cc1ccccc1OC1CCCC1.
What is the InChIKey of (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is UHRRQQMKQPRIOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-23(20(16-24-2)19-12-7-8-14-22-19)15-17-9-3-6-13-21(17)25-18-10-4-5-11-18/h3,6-9,12-14,18,20H,4-5,10-11,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 340.47 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 99948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).