(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol

C11H16N2O2 — CID 67215346

IUPAC(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cc(N)ccc1N1CC[C@@H](O)C1
InChIInChI=1S/C11H16N2O2/c1-15-11-6-8(12)2-3-10(11)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyAECWOIDYMNMPCP-SECBINFHSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds2

About (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol

(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 67215346) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
PubChem CID67215346
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cc(N)ccc1N1CC[C@@H](O)C1
InChIInChI=1S/C11H16N2O2/c1-15-11-6-8(12)2-3-10(11)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyAECWOIDYMNMPCP-SECBINFHSA-N
XLogP0.85
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
CID 62917357
5-amino-2-(3-hydroxypyrrolidin-1-yl)benzoic acid
CID 62943071
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
1-[4-amino-2-(difluoromethyl)phenyl]pyrrolidin-3-ol
CID 63736538
[(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-yl] 3-methylbutanoate
CID 163747615
(3S)-3-[[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]amino]-4-methylpentan-2-ol
CID 90166108
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
CID 142621549
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol (CID 67215346) is (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol is COc1cc(N)ccc1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is AECWOIDYMNMPCP-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11-6-8(12)2-3-10(11)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol?
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 67215346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).