4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol

C13H20N2O — CID 65487607

IUPAC4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
SMILESCN(CCc1ccccc1)C1CNCC1O
InChIInChI=1S/C13H20N2O/c1-15(12-9-14-10-13(12)16)8-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyMPYUNWVCOCAQNE-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.49
Rot. Bonds4

About 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol

4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol (PubChem CID 65487607) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
PubChem CID65487607
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
SMILESCN(CCc1ccccc1)C1CNCC1O
InChIInChI=1S/C13H20N2O/c1-15(12-9-14-10-13(12)16)8-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3
InChIKeyMPYUNWVCOCAQNE-UHFFFAOYSA-N
XLogP0.49
TPSA35.50 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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(2-phenylethyl)piperidin-4-amine
CID 65487041
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
(3S,4R)-4-benzyl-N,N-dimethylpyrrolidin-3-amine
CID 129386795
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol (CID 65487607) is 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol is CN(CCc1ccccc1)C1CNCC1O.
What is the InChIKey of 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol?
The InChIKey is MPYUNWVCOCAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-9-14-10-13(12)16)8-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3.
What are the key properties of 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol?
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 65487607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).