1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol

C15H24N2O — CID 113285351

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
SMILESCNCC1CCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(18,13-7-4-3-5-8-13)12-17-10-6-9-14(17)11-16-2/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3
InChIKeyWAQAKMWUSIVTSX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol (PubChem CID 113285351) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
PubChem CID113285351
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
SMILESCNCC1CCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(18,13-7-4-3-5-8-13)12-17-10-6-9-14(17)11-16-2/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3
InChIKeyWAQAKMWUSIVTSX-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
N-methyl-1-[1-(2-phenylprop-2-enyl)pyrrolidin-2-yl]methanamine
CID 115328538
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
CID 114496641
N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
CID 58780771
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65324595
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol (CID 113285351) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol is CNCC1CCCN1CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is WAQAKMWUSIVTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(18,13-7-4-3-5-8-13)12-17-10-6-9-14(17)11-16-2/h3-5,7-8,14,16,18H,6,9-12H2,1-2H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 113285351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).