N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine

C14H14N2O2 — CID 738607

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2
InChIKeyUGGCQMVKRPFZEA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.10
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine

N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine (PubChem CID 738607) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine
PubChem CID738607
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2
InChIKeyUGGCQMVKRPFZEA-UHFFFAOYSA-N
XLogP2.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine (CID 738607) is N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine is c1cc(CNCc2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The InChIKey is UGGCQMVKRPFZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine has a molecular weight of 242.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 738607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).