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

C16H26N2O2 — CID 106674066

IUPAC1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
SMILESCCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-3-17-14(13-6-4-5-12(2)9-13)7-8-18-10-15(19)16(20)11-18/h4-6,9,14-17,19-20H,3,7-8,10-11H2,1-2H3
InChIKeyNXVQZSXGRROJQL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.07
Rot. Bonds6

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

1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol (PubChem CID 106674066) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
PubChem CID106674066
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
SMILESCCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-3-17-14(13-6-4-5-12(2)9-13)7-8-18-10-15(19)16(20)11-18/h4-6,9,14-17,19-20H,3,7-8,10-11H2,1-2H3
InChIKeyNXVQZSXGRROJQL-UHFFFAOYSA-N
XLogP1.07
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol (CID 106674066) is 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol is CCNC(CCN1CC(O)C(O)C1)c1cccc(C)c1.
What is the InChIKey of 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol?
The InChIKey is NXVQZSXGRROJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-17-14(13-6-4-5-12(2)9-13)7-8-18-10-15(19)16(20)11-18/h4-6,9,14-17,19-20H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol?
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol has a molecular weight of 278.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).