3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol

C12H18N2O2 — CID 123921405

IUPAC3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
SMILESNCc1cc(O)ccc1OCC1CCCN1
InChIInChI=1S/C12H18N2O2/c13-7-9-6-11(15)3-4-12(9)16-8-10-2-1-5-14-10/h3-4,6,10,14-15H,1-2,5,7-8,13H2
InChIKeyHGEJLOYRULBPCB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds4

About 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol

3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol (PubChem CID 123921405) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
PubChem CID123921405
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
SMILESNCc1cc(O)ccc1OCC1CCCN1
InChIInChI=1S/C12H18N2O2/c13-7-9-6-11(15)3-4-12(9)16-8-10-2-1-5-14-10/h3-4,6,10,14-15H,1-2,5,7-8,13H2
InChIKeyHGEJLOYRULBPCB-UHFFFAOYSA-N
XLogP0.98
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
4-(azetidin-2-ylmethoxy)-3-bromophenol
CID 84709333
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol?
The IUPAC name of 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol (CID 123921405) is 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol.
What is the SMILES notation for 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol?
The canonical SMILES for 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol is NCc1cc(O)ccc1OCC1CCCN1.
What is the InChIKey of 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol?
The InChIKey is HGEJLOYRULBPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-7-9-6-11(15)3-4-12(9)16-8-10-2-1-5-14-10/h3-4,6,10,14-15H,1-2,5,7-8,13H2.
What are the key properties of 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol?
3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol has a molecular weight of 222.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol is sourced from PubChem (CID 123921405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).