4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol

C13H20N2O — CID 63299452

IUPAC4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C1CCNC1
InChIInChI=1S/C13H20N2O/c1-2-15(12-7-8-14-9-12)10-11-3-5-13(16)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyAVMNGNJFNAKKQJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds4

About 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol

4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 63299452) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID63299452
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C1CCNC1
InChIInChI=1S/C13H20N2O/c1-2-15(12-7-8-14-9-12)10-11-3-5-13(16)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyAVMNGNJFNAKKQJ-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 69061911

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 63299452) is 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol is CCN(Cc1ccc(O)cc1)C1CCNC1.
What is the InChIKey of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is AVMNGNJFNAKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15(12-7-8-14-9-12)10-11-3-5-13(16)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63299452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).