[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine

C15H23NO3 — CID 82122627

IUPAC[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCOc1ccc(C2(CN)OCCO2)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)18-7-8-19-15/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeySWLSFWZRNMGPAK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds3

About [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine

[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82122627) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82122627
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine
SMILESCOc1ccc(C2(CN)OCCO2)cc1C(C)(C)C
InChIInChI=1S/C15H23NO3/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)18-7-8-19-15/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeySWLSFWZRNMGPAK-UHFFFAOYSA-N
XLogP2.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
2-(3-tert-butyl-4-methoxyphenyl)-2-methyloxirane
CID 82048860
3-(3-tert-butyl-4-methoxyphenyl)-3-methyloxetane
CID 116876033
2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane
CID 83958252
(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
CID 82286004
[2-(3,4-dimethylphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017403
3-(3-tert-butyl-4-methoxyphenyl)oxetane-3-carbaldehyde
CID 116872325
2-[2-(4-methoxy-3-methylphenyl)-1,3-dioxan-2-yl]ethanamine
CID 82131625
[2-(2,5-dimethoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017767
[2-(5-chloro-2-methoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 82132431
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
1-(3-tert-butyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116842130

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine (CID 82122627) is [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine is COc1ccc(C2(CN)OCCO2)cc1C(C)(C)C.
What is the InChIKey of [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is SWLSFWZRNMGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2,3)12-9-11(5-6-13(12)17-4)15(10-16)18-7-8-19-15/h5-6,9H,7-8,10,16H2,1-4H3.
What are the key properties of [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine?
[2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butyl-4-methoxyphenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82122627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).