3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol

C12H18N2O — CID 62069269

IUPAC3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
SMILESNCC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C12H18N2O/c13-7-11-4-5-14(9-11)8-10-2-1-3-12(15)6-10/h1-3,6,11,15H,4-5,7-9,13H2
InChIKeyJAJJCGZDXDBWTN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.17
Rot. Bonds3

About 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol

3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 62069269) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
PubChem CID62069269
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
SMILESNCC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C12H18N2O/c13-7-11-4-5-14(9-11)8-10-2-1-3-12(15)6-10/h1-3,6,11,15H,4-5,7-9,13H2
InChIKeyJAJJCGZDXDBWTN-UHFFFAOYSA-N
XLogP1.17
TPSA49.49 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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzene-1,3-diol
CID 62069266
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol (CID 62069269) is 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol is NCC1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is JAJJCGZDXDBWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-7-11-4-5-14(9-11)8-10-2-1-3-12(15)6-10/h1-3,6,11,15H,4-5,7-9,13H2.
What are the key properties of 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol?
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 62069269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).