N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine

C12H19N3 — CID 82506999

IUPACN-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2CN)C1
InChIInChI=1S/C12H19N3/c1-15-7-6-11(9-15)14-12-5-3-2-4-10(12)8-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyFDBVULFSXAPUKM-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.26
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine

N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine (PubChem CID 82506999) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
PubChem CID82506999
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2CN)C1
InChIInChI=1S/C12H19N3/c1-15-7-6-11(9-15)14-12-5-3-2-4-10(12)8-13/h2-5,11,14H,6-9,13H2,1H3
InChIKeyFDBVULFSXAPUKM-UHFFFAOYSA-N
XLogP1.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine (CID 82506999) is N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccccc2CN)C1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine?
The InChIKey is FDBVULFSXAPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-7-6-11(9-15)14-12-5-3-2-4-10(12)8-13/h2-5,11,14H,6-9,13H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine?
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82506999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).