(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol

C13H20N2O — CID 129390025

IUPAC(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1CCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-10(16)13-3-2-8-15(13)9-11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9,14H2,1H3/t10-,13+/m1/s1
InChIKeyIZPOHWUZLKPKQN-MFKMUULPSA-N
MW220.32 g/mol
LogP1.61
Rot. Bonds3

About (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol

(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 129390025) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID129390025
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
SMILESC[C@@H](O)[C@@H]1CCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-10(16)13-3-2-8-15(13)9-11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9,14H2,1H3/t10-,13+/m1/s1
InChIKeyIZPOHWUZLKPKQN-MFKMUULPSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
CID 95354319
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
CID 141293787
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol (CID 129390025) is (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol is C[C@@H](O)[C@@H]1CCCN1Cc1ccc(N)cc1.
What is the InChIKey of (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is IZPOHWUZLKPKQN-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(16)13-3-2-8-15(13)9-11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9,14H2,1H3/t10-,13+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol?
(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 129390025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).