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

C13H19NO2 — CID 82158767

IUPAC[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCC(C)c1ccc(C2COC(CN)O2)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)10-3-5-11(6-4-10)12-8-15-13(7-14)16-12/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyQPAPOQPYBJWEPQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds3

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

[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82158767) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82158767
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCC(C)c1ccc(C2COC(CN)O2)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)10-3-5-11(6-4-10)12-8-15-13(7-14)16-12/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyQPAPOQPYBJWEPQ-UHFFFAOYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82158506
5-methyl-2-(4-propan-2-ylphenyl)morpholine
CID 43174769
5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 142422179
(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
CID 92531894
2-(4-propan-2-ylphenyl)oxan-3-amine
CID 79365963
ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
4-(4-propan-2-ylphenyl)pyrazole-3,5-dione
CID 162468857
2-[4-(2-methylpropylsulfanyl)phenyl]oxirane
CID 13456629
1-[4-(1,3-dioxolan-4-yl)phenyl]ethanol
CID 84665384
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine (CID 82158767) is [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine is CC(C)c1ccc(C2COC(CN)O2)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is QPAPOQPYBJWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)10-3-5-11(6-4-10)12-8-15-13(7-14)16-12/h3-6,9,12-13H,7-8,14H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine?
[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82158767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).