[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol

C13H20N2O — CID 61407811

IUPAC[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccccc1CN1CCCC1CO
InChIInChI=1S/C13H20N2O/c14-8-11-4-1-2-5-12(11)9-15-7-3-6-13(15)10-16/h1-2,4-5,13,16H,3,6-10,14H2
InChIKeyWNQZZIGYKMXIFT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.10
Rot. Bonds4

About [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol

[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 61407811) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID61407811
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccccc1CN1CCCC1CO
InChIInChI=1S/C13H20N2O/c14-8-11-4-1-2-5-12(11)9-15-7-3-6-13(15)10-16/h1-2,4-5,13,16H,3,6-10,14H2
InChIKeyWNQZZIGYKMXIFT-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83053433
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[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
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[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
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[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 86786579
(E)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide
CID 132970854
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
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[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
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CID 15504357

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 61407811) is [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is NCc1ccccc1CN1CCCC1CO.
What is the InChIKey of [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WNQZZIGYKMXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-11-4-1-2-5-12(11)9-15-7-3-6-13(15)10-16/h1-2,4-5,13,16H,3,6-10,14H2.
What are the key properties of [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).