3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol

C12H19N3O — CID 105478096

IUPAC3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol
SMILESCN1CCC(CN)(Nc2cccc(O)c2)C1
InChIInChI=1S/C12H19N3O/c1-15-6-5-12(8-13,9-15)14-10-3-2-4-11(16)7-10/h2-4,7,14,16H,5-6,8-9,13H2,1H3
InChIKeySMRJEOKXCZDJMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.84
Rot. Bonds3

About 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol

3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol (PubChem CID 105478096) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol
PubChem CID105478096
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol
SMILESCN1CCC(CN)(Nc2cccc(O)c2)C1
InChIInChI=1S/C12H19N3O/c1-15-6-5-12(8-13,9-15)14-10-3-2-4-11(16)7-10/h2-4,7,14,16H,5-6,8-9,13H2,1H3
InChIKeySMRJEOKXCZDJMU-UHFFFAOYSA-N
XLogP0.84
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol?
The IUPAC name of 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol (CID 105478096) is 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol.
What is the SMILES notation for 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol?
The canonical SMILES for 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol is CN1CCC(CN)(Nc2cccc(O)c2)C1.
What is the InChIKey of 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol?
The InChIKey is SMRJEOKXCZDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-6-5-12(8-13,9-15)14-10-3-2-4-11(16)7-10/h2-4,7,14,16H,5-6,8-9,13H2,1H3.
What are the key properties of 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol?
3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol has a molecular weight of 221.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-1-methylpyrrolidin-3-yl]amino]phenol is sourced from PubChem (CID 105478096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).