1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol

C17H28N2O2 — CID 106674181

IUPAC1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
SMILESCCCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-3-8-18-15(14-6-4-5-13(2)10-14)7-9-19-11-16(20)17(21)12-19/h4-6,10,15-18,20-21H,3,7-9,11-12H2,1-2H3
InChIKeyGKYUBDBFCFYHBX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.46
Rot. Bonds7

About 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol

1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol (PubChem CID 106674181) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
PubChem CID106674181
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
SMILESCCCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-3-8-18-15(14-6-4-5-13(2)10-14)7-9-19-11-16(20)17(21)12-19/h4-6,10,15-18,20-21H,3,7-9,11-12H2,1-2H3
InChIKeyGKYUBDBFCFYHBX-UHFFFAOYSA-N
XLogP1.46
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol (CID 106674181) is 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol is CCCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol?
The InChIKey is GKYUBDBFCFYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-8-18-15(14-6-4-5-13(2)10-14)7-9-19-11-16(20)17(21)12-19/h4-6,10,15-18,20-21H,3,7-9,11-12H2,1-2H3.
What are the key properties of 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol?
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol has a molecular weight of 292.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).