1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol

C14H22N2O — CID 103355450

IUPAC1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
SMILESCC(N)C(c1ccccc1)N1CCC(C)(O)C1
InChIInChI=1S/C14H22N2O/c1-11(15)13(12-6-4-3-5-7-12)16-9-8-14(2,17)10-16/h3-7,11,13,17H,8-10,15H2,1-2H3
InChIKeyJTMKQDDGFXHGEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol

1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol (PubChem CID 103355450) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
PubChem CID103355450
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
SMILESCC(N)C(c1ccccc1)N1CCC(C)(O)C1
InChIInChI=1S/C14H22N2O/c1-11(15)13(12-6-4-3-5-7-12)16-9-8-14(2,17)10-16/h3-7,11,13,17H,8-10,15H2,1-2H3
InChIKeyJTMKQDDGFXHGEJ-UHFFFAOYSA-N
XLogP1.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
1-[2-amino-1-(4-methoxyphenyl)butyl]-3-methylpyrrolidin-3-ol
CID 103355454
1-(4,4-dimethylpiperidin-1-yl)-1-pyridin-4-ylpropan-2-amine
CID 62935813
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylpropan-2-amine
CID 79940901

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol (CID 103355450) is 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol is CC(N)C(c1ccccc1)N1CCC(C)(O)C1.
What is the InChIKey of 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol?
The InChIKey is JTMKQDDGFXHGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)13(12-6-4-3-5-7-12)16-9-8-14(2,17)10-16/h3-7,11,13,17H,8-10,15H2,1-2H3.
What are the key properties of 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol?
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).