[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol

C15H22N2O2 — CID 62975143

IUPAC[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1NC1(CO)CCN(C2CC2)C1
InChIInChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)16-15(11-18)8-9-17(10-15)12-6-7-12/h2-5,12,16,18H,6-11H2,1H3
InChIKeyGVBWAJQLOHMKJJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds5

About [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol

[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol (PubChem CID 62975143) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
PubChem CID62975143
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1NC1(CO)CCN(C2CC2)C1
InChIInChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)16-15(11-18)8-9-17(10-15)12-6-7-12/h2-5,12,16,18H,6-11H2,1H3
InChIKeyGVBWAJQLOHMKJJ-UHFFFAOYSA-N
XLogP1.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
[3-(2-methoxyanilino)-1,1-dioxothiolan-3-yl]methanol
CID 63166531
3-(2-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 60993873
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
ethyl 3-(2-bromoanilino)-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976964
ethyl 1-cyclopropyl-3-(2-methylanilino)pyrrolidine-3-carboxylate
CID 62976962
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61047647
4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365215
3-(4-chloro-3-methoxyphenyl)-1-cyclopropylpyrrolidin-3-ol
CID 79711459

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol (CID 62975143) is [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol is COc1ccccc1NC1(CO)CCN(C2CC2)C1.
What is the InChIKey of [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol?
The InChIKey is GVBWAJQLOHMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)16-15(11-18)8-9-17(10-15)12-6-7-12/h2-5,12,16,18H,6-11H2,1H3.
What are the key properties of [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol?
[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62975143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).