2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol

C17H28N2O — CID 115677253

IUPAC2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
SMILESCC(CO)C(C)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(13-20)15(2)18-17-9-11-19(12-17)10-8-16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyAVKLGRFVYZNXLG-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol

2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol (PubChem CID 115677253) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
PubChem CID115677253
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
SMILESCC(CO)C(C)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(13-20)15(2)18-17-9-11-19(12-17)10-8-16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3
InChIKeyAVKLGRFVYZNXLG-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 115901640
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
CID 103952918
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol (CID 115677253) is 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol is CC(CO)C(C)NC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol?
The InChIKey is AVKLGRFVYZNXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(13-20)15(2)18-17-9-11-19(12-17)10-8-16-6-4-3-5-7-16/h3-7,14-15,17-18,20H,8-13H2,1-2H3.
What are the key properties of 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol?
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol is sourced from PubChem (CID 115677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).