1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol

C16H26N2O2 — CID 3379940

IUPAC1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
SMILESCCN1CCCC1CNCC(O)COc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-18-10-6-7-14(18)11-17-12-15(19)13-20-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,2,6-7,10-13H2,1H3
InChIKeyMYZHMUCEOWWVOD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.50
Rot. Bonds8

About 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol

1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol (PubChem CID 3379940) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
PubChem CID3379940
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol
SMILESCCN1CCCC1CNCC(O)COc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-18-10-6-7-14(18)11-17-12-15(19)13-20-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,2,6-7,10-13H2,1H3
InChIKeyMYZHMUCEOWWVOD-UHFFFAOYSA-N
XLogP1.50
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 60632855
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 6358994
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60632781
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111262831
3-[2-[(1-ethylpyrrolidin-2-yl)methylamino]ethoxy]benzoic acid
CID 103236004

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol (CID 3379940) is 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol is CCN1CCCC1CNCC(O)COc1ccccc1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol?
The InChIKey is MYZHMUCEOWWVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-18-10-6-7-14(18)11-17-12-15(19)13-20-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,2,6-7,10-13H2,1H3.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol?
1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 3379940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).