6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine

C24H33N3O2 — CID 124953976

IUPAC6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine
SMILESCOc1ccc(OCCNc2cccc([C@H]3CCCN3C3CCCCC3)n2)cc1
InChIInChI=1S/C24H33N3O2/c1-28-20-12-14-21(15-13-20)29-18-16-25-24-11-5-9-22(26-24)23-10-6-17-27(23)19-7-3-2-4-8-19/h5,9,11-15,19,23H,2-4,6-8,10,16-18H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyDZEUULOQXHSQSG-HSZRJFAPSA-N
MW395.55 g/mol
LogP5.05
Rot. Bonds8

About 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine

6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine (PubChem CID 124953976) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine
PubChem CID124953976
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine
SMILESCOc1ccc(OCCNc2cccc([C@H]3CCCN3C3CCCCC3)n2)cc1
InChIInChI=1S/C24H33N3O2/c1-28-20-12-14-21(15-13-20)29-18-16-25-24-11-5-9-22(26-24)23-10-6-17-27(23)19-7-3-2-4-8-19/h5,9,11-15,19,23H,2-4,6-8,10,16-18H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyDZEUULOQXHSQSG-HSZRJFAPSA-N
XLogP5.05
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 124980413
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124964524
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124947086
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036125
2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133345400
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95818430

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine?
The IUPAC name of 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine (CID 124953976) is 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine is COc1ccc(OCCNc2cccc([C@H]3CCCN3C3CCCCC3)n2)cc1.
What is the InChIKey of 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine?
The InChIKey is DZEUULOQXHSQSG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-20-12-14-21(15-13-20)29-18-16-25-24-11-5-9-22(26-24)23-10-6-17-27(23)19-7-3-2-4-8-19/h5,9,11-15,19,23H,2-4,6-8,10,16-18H2,1H3,(H,25,26)/t23-/m1/s1.
What are the key properties of 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine?
6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 124953976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).