1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol

C15H24N2O2 — CID 106667892

IUPAC1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
SMILESCCC(N)C(c1cccc(C)c1)N1CC(O)C(O)C1
InChIInChI=1S/C15H24N2O2/c1-3-12(16)15(11-6-4-5-10(2)7-11)17-8-13(18)14(19)9-17/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3
InChIKeyWBRNWGNGNUVWDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol

1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol (PubChem CID 106667892) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
PubChem CID106667892
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
SMILESCCC(N)C(c1cccc(C)c1)N1CC(O)C(O)C1
InChIInChI=1S/C15H24N2O2/c1-3-12(16)15(11-6-4-5-10(2)7-11)17-8-13(18)14(19)9-17/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3
InChIKeyWBRNWGNGNUVWDE-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 106667955
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
1-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)butan-2-amine
CID 114537081
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
CID 63215904
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-bromophenyl)butan-2-amine
CID 115559123
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol (CID 106667892) is 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol is CCC(N)C(c1cccc(C)c1)N1CC(O)C(O)C1.
What is the InChIKey of 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol?
The InChIKey is WBRNWGNGNUVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(16)15(11-6-4-5-10(2)7-11)17-8-13(18)14(19)9-17/h4-7,12-15,18-19H,3,8-9,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol?
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol has a molecular weight of 264.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).