1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine

C22H29N3O2 — CID 142876543

IUPAC1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2OC)cn1
InChIInChI=1S/C22H29N3O2/c1-16(23)20-9-8-19(15-25-20)27-21-10-7-18(13-22(21)26-2)14-24-12-11-17-5-3-4-6-17/h7-10,13,15,17,24H,1,3-6,11-12,14,23H2,2H3
InChIKeyMMKZBGWONGEXCS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.48
Rot. Bonds9

About 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine

1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine (PubChem CID 142876543) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine
PubChem CID142876543
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine
SMILESC=C(N)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2OC)cn1
InChIInChI=1S/C22H29N3O2/c1-16(23)20-9-8-19(15-25-20)27-21-10-7-18(13-22(21)26-2)14-24-12-11-17-5-3-4-6-17/h7-10,13,15,17,24H,1,3-6,11-12,14,23H2,2H3
InChIKeyMMKZBGWONGEXCS-UHFFFAOYSA-N
XLogP4.48
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
5-[4-[(2-cyclopentylethylamino)methyl]phenoxy]pyridine-2-carboxamide;methanesulfonic acid
CID 87560491
N-[[4-[[6-(1-aminoethenyl)-3-pyridinyl]oxy]-3-fluorophenyl]methyl]-3,3-dimethylbutan-1-amine
CID 89054552
5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazin-4-ium-2-carboxamide
CID 149496434
[[5-[4-[(2-cyclopentylethylamino)methyl]-2-methylphenoxy]pyridine-2-carbonyl]amino]methanesulfonic acid
CID 90982273
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60733457
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
5-[2-methyl-4-[(octylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 142876363

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine?
The IUPAC name of 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine (CID 142876543) is 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine.
What is the SMILES notation for 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine?
The canonical SMILES for 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine is C=C(N)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2OC)cn1.
What is the InChIKey of 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine?
The InChIKey is MMKZBGWONGEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(23)20-9-8-19(15-25-20)27-21-10-7-18(13-22(21)26-2)14-24-12-11-17-5-3-4-6-17/h7-10,13,15,17,24H,1,3-6,11-12,14,23H2,2H3.
What are the key properties of 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine?
1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine has a molecular weight of 367.49 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(2-cyclopentylethylamino)methyl]-2-methoxyphenoxy]-2-pyridinyl]ethenamine is sourced from PubChem (CID 142876543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).