1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol

C14H22N2O3 — CID 112624228

IUPAC1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol
SMILESCOc1cc(N)c(N2CCC(C(C)O)C2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-9(17)10-4-5-16(8-10)12-7-14(19-3)13(18-2)6-11(12)15/h6-7,9-10,17H,4-5,8,15H2,1-3H3
InChIKeyUQGOKZXVOHXZFW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.49
Rot. Bonds4

About 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol

1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 112624228) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol
PubChem CID112624228
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol
SMILESCOc1cc(N)c(N2CCC(C(C)O)C2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-9(17)10-4-5-16(8-10)12-7-14(19-3)13(18-2)6-11(12)15/h6-7,9-10,17H,4-5,8,15H2,1-3H3
InChIKeyUQGOKZXVOHXZFW-UHFFFAOYSA-N
XLogP1.49
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-(4-propan-2-ylazepan-1-yl)aniline
CID 83004848
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
CID 112624251
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
1-[1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 103553396
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol (CID 112624228) is 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol is COc1cc(N)c(N2CCC(C(C)O)C2)cc1OC.
What is the InChIKey of 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is UQGOKZXVOHXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(17)10-4-5-16(8-10)12-7-14(19-3)13(18-2)6-11(12)15/h6-7,9-10,17H,4-5,8,15H2,1-3H3.
What are the key properties of 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).