1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol

C16H26N2O3 — CID 144811822

IUPAC1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
SMILESCNc1cc(OC)c(OC)cc1C(O)CCN1CCCC1
InChIInChI=1S/C16H26N2O3/c1-17-13-11-16(21-3)15(20-2)10-12(13)14(19)6-9-18-7-4-5-8-18/h10-11,14,17,19H,4-9H2,1-3H3
InChIKeyAQMYMUCFBIALHG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.26
Rot. Bonds7

About 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol

1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 144811822) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID144811822
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
SMILESCNc1cc(OC)c(OC)cc1C(O)CCN1CCCC1
InChIInChI=1S/C16H26N2O3/c1-17-13-11-16(21-3)15(20-2)10-12(13)14(19)6-9-18-7-4-5-8-18/h10-11,14,17,19H,4-9H2,1-3H3
InChIKeyAQMYMUCFBIALHG-UHFFFAOYSA-N
XLogP2.26
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.26
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

3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 21151554
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol (CID 144811822) is 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol is CNc1cc(OC)c(OC)cc1C(O)CCN1CCCC1.
What is the InChIKey of 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is AQMYMUCFBIALHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17-13-11-16(21-3)15(20-2)10-12(13)14(19)6-9-18-7-4-5-8-18/h10-11,14,17,19H,4-9H2,1-3H3.
What are the key properties of 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(methylamino)phenyl]-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 144811822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).