3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol

C12H18N2O — CID 84674469

IUPAC3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
SMILESCN(CC1CCCN1)c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c1-14(9-10-4-3-7-13-10)11-5-2-6-12(15)8-11/h2,5-6,8,10,13,15H,3-4,7,9H2,1H3
InChIKeyCSIOUWMNUOWRFO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.58
Rot. Bonds3

About 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol

3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol (PubChem CID 84674469) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol.

Molecular Properties

Compound Name3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
PubChem CID84674469
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
SMILESCN(CC1CCCN1)c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c1-14(9-10-4-3-7-13-10)11-5-2-6-12(15)8-11/h2,5-6,8,10,13,15H,3-4,7,9H2,1H3
InChIKeyCSIOUWMNUOWRFO-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
CID 105480753
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
5-[methyl(pyrrolidin-2-ylmethyl)amino]-2-nitrobenzonitrile
CID 106618500
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol?
The IUPAC name of 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol (CID 84674469) is 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol.
What is the SMILES notation for 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol?
The canonical SMILES for 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol is CN(CC1CCCN1)c1cccc(O)c1.
What is the InChIKey of 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol?
The InChIKey is CSIOUWMNUOWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(9-10-4-3-7-13-10)11-5-2-6-12(15)8-11/h2,5-6,8,10,13,15H,3-4,7,9H2,1H3.
What are the key properties of 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol?
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol is sourced from PubChem (CID 84674469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).