1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol

C15H24N2O3 — CID 60898032

IUPAC1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(NCC(O)CN2CCCC2)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-19-13-5-6-14(15(9-13)20-2)16-10-12(18)11-17-7-3-4-8-17/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyJHFGWLJEWZHSHD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds7

About 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol

1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60898032) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60898032
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(NCC(O)CN2CCCC2)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-19-13-5-6-14(15(9-13)20-2)16-10-12(18)11-17-7-3-4-8-17/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyJHFGWLJEWZHSHD-UHFFFAOYSA-N
XLogP1.57
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
CID 124853730
1-(4-methoxy-2-methylanilino)-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol
CID 22599941
(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60898032) is 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(NCC(O)CN2CCCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is JHFGWLJEWZHSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-13-5-6-14(15(9-13)20-2)16-10-12(18)11-17-7-3-4-8-17/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60898032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).