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

C15H23NO2 — CID 82119202

IUPAC[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCCC(C)c1ccc(C2(C)OCC(CN)O2)cc1
InChIInChI=1S/C15H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)17-10-14(9-16)18-15/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyPJXGCFLIZHQCRM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.75
Rot. Bonds4

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

[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 82119202) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID82119202
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCCC(C)c1ccc(C2(C)OCC(CN)O2)cc1
InChIInChI=1S/C15H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)17-10-14(9-16)18-15/h5-8,11,14H,4,9-10,16H2,1-3H3
InChIKeyPJXGCFLIZHQCRM-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine with MolForge

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Related Compounds

[2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82122630
[(2S,4S)-2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]methyl carbamate
CID 21128707
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
CID 130511719
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]butan-2-amine
CID 66229158
[2-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124722
[5-[(4-butan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 107668362
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
[(2R,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988329
[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988330
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988328
(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
CID 82281241
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011

Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 82119202) is [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is CCC(C)c1ccc(C2(C)OCC(CN)O2)cc1.
What is the InChIKey of [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is PJXGCFLIZHQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-11(2)12-5-7-13(8-6-12)15(3)17-10-14(9-16)18-15/h5-8,11,14H,4,9-10,16H2,1-3H3.
What are the key properties of [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine?
[2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82119202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).