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

C12H18N2O — CID 61407421

IUPAC[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccccc1N1CCCC1CO
InChIInChI=1S/C12H18N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(14)9-15/h1-2,4,6,11,15H,3,5,7-9,13H2
InChIKeyMJGREARWHMOEON-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.11
Rot. Bonds3

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

[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 61407421) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID61407421
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccccc1N1CCCC1CO
InChIInChI=1S/C12H18N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(14)9-15/h1-2,4,6,11,15H,3,5,7-9,13H2
InChIKeyMJGREARWHMOEON-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol (CID 61407421) is [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol is NCc1ccccc1N1CCCC1CO.
What is the InChIKey of [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is MJGREARWHMOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(14)9-15/h1-2,4,6,11,15H,3,5,7-9,13H2.
What are the key properties of [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol?
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).