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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Related Compounds

Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
RG 13022
CID 5468216
4-[2-(3,4-Dimethoxy-phenyl)-vinyl]-pyridine
CID 703616
N-(3-(4-(piperonyl)piperazin-1-yl)propyl) isonicotinamide
CID 127027739
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127041966
(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746772
(2-Benzo[1,3]dioxol-5-yl-ethyl)pyridin-3-yl-methylamine oxalate
CID 24746781
Pyridin-4-ylmethyl-(3,4,5-trimethoxy-benzyl)-amine hydrochloride
CID 24746782
N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654053
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
CID 1087209
3-(3,4-Dimethoxyphenyl)-2-(pyridin-3-yl)acrylonitrile
CID 5353927
3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone
CID 5717399

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).