3-[(3-ethylpyrrolidin-1-yl)methyl]phenol

C13H19NO — CID 115883991

IUPAC3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-2-11-6-7-14(9-11)10-12-4-3-5-13(15)8-12/h3-5,8,11,15H,2,6-7,9-10H2,1H3
InChIKeyGLWAZSYQICEWON-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds3

About 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol

3-[(3-ethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 115883991) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
PubChem CID115883991
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-2-11-6-7-14(9-11)10-12-4-3-5-13(15)8-12/h3-5,8,11,15H,2,6-7,9-10H2,1H3
InChIKeyGLWAZSYQICEWON-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
3-[[3-methyl-4-(propylamino)piperidin-1-yl]methyl]phenol
CID 114499438
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol (CID 115883991) is 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol is CCC1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is GLWAZSYQICEWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-6-7-14(9-11)10-12-4-3-5-13(15)8-12/h3-5,8,11,15H,2,6-7,9-10H2,1H3.
What are the key properties of 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 115883991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).