2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine

C18H22N2O2 — CID 86791432

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCC1(CCNC(c2ccccc2)c2ccccn2)OCCO1
InChIInChI=1S/C18H22N2O2/c1-18(21-13-14-22-18)10-12-20-17(15-7-3-2-4-8-15)16-9-5-6-11-19-16/h2-9,11,17,20H,10,12-14H2,1H3
InChIKeyABOYJZSYLLLCBJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine

2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine (PubChem CID 86791432) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
PubChem CID86791432
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCC1(CCNC(c2ccccc2)c2ccccn2)OCCO1
InChIInChI=1S/C18H22N2O2/c1-18(21-13-14-22-18)10-12-20-17(15-7-3-2-4-8-15)16-9-5-6-11-19-16/h2-9,11,17,20H,10,12-14H2,1H3
InChIKeyABOYJZSYLLLCBJ-UHFFFAOYSA-N
XLogP2.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949345
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine
CID 131153457
4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
CID 55625647

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine (CID 86791432) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine is CC1(CCNC(c2ccccc2)c2ccccn2)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is ABOYJZSYLLLCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(21-13-14-22-18)10-12-20-17(15-7-3-2-4-8-15)16-9-5-6-11-19-16/h2-9,11,17,20H,10,12-14H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine?
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 298.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 86791432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).