3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol

C16H26N2O — CID 62467578

IUPAC3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNC(C)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-9-3-4-10-16(15)18-11-5-7-14(18)8-6-12-19/h3-4,9-10,13-14,17,19H,5-8,11-12H2,1-2H3
InChIKeyDZLAOFQCBPVAPE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds6

About 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467578) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467578
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNC(C)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-9-3-4-10-16(15)18-11-5-7-14(18)8-6-12-19/h3-4,9-10,13-14,17,19H,5-8,11-12H2,1-2H3
InChIKeyDZLAOFQCBPVAPE-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 60974257
3-[1-[2-[1-(ethylamino)ethyl]-3-fluorophenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467401
3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122531
3-[1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076409
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939880
(1S)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 63370962
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol (CID 62467578) is 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol is CNC(C)c1ccccc1N1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DZLAOFQCBPVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-2)15-9-3-4-10-16(15)18-11-5-7-14(18)8-6-12-19/h3-4,9-10,13-14,17,19H,5-8,11-12H2,1-2H3.
What are the key properties of 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).