[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine

C13H19NO2 — CID 82777435

IUPAC[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine
SMILESCC1(CCc2ccccc2)OCC(CN)O1
InChIInChI=1S/C13H19NO2/c1-13(15-10-12(9-14)16-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3
InChIKeyAAJBRVPLPKUQKJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds4

About [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine

[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82777435) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82777435
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine
SMILESCC1(CCc2ccccc2)OCC(CN)O1
InChIInChI=1S/C13H19NO2/c1-13(15-10-12(9-14)16-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3
InChIKeyAAJBRVPLPKUQKJ-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82024324
[2-[(2-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 117169627
[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
CID 101093882
[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine
CID 103466567
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methyl 3-methylbutanoate
CID 90344642
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
benzyl 3-[2-methyl-4-(oxocarbamoyloxymethyl)-1,3-dioxolan-2-yl]propanoate
CID 163757958
2,5-dimethyl-2-(2-phenylethyl)-1,3-dioxane-5-carbaldehyde
CID 171591221
2,2-dimethyl-4-[2-(4-phenylphenyl)ethyl]-1,3-dioxolane
CID 177308908
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
CID 10892135

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine (CID 82777435) is [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine is CC1(CCc2ccccc2)OCC(CN)O1.
What is the InChIKey of [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is AAJBRVPLPKUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(15-10-12(9-14)16-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3.
What are the key properties of [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine?
[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82777435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).