1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol

C15H24N2O2 — CID 114797226

IUPAC1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
SMILESNCc1ccc(C(O)CN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O2/c16-9-12-1-3-14(4-2-12)15(19)11-17-7-5-13(10-17)6-8-18/h1-4,13,15,18-19H,5-11,16H2
InChIKeyKWVDYXUJRWOFDG-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.88
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol

1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol (PubChem CID 114797226) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
PubChem CID114797226
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
SMILESNCc1ccc(C(O)CN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H24N2O2/c16-9-12-1-3-14(4-2-12)15(19)11-17-7-5-13(10-17)6-8-18/h1-4,13,15,18-19H,5-11,16H2
InChIKeyKWVDYXUJRWOFDG-UHFFFAOYSA-N
XLogP0.88
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797133
methyl 4-[2-[4-(aminomethyl)phenyl]-2-hydroxyethyl]morpholine-2-carboxylate
CID 115533887
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114776470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol (CID 114797226) is 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol is NCc1ccc(C(O)CN2CCC(CCO)C2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is KWVDYXUJRWOFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-9-12-1-3-14(4-2-12)15(19)11-17-7-5-13(10-17)6-8-18/h1-4,13,15,18-19H,5-11,16H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol?
1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 114797226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).