[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine

C13H19NO — CID 63322907

IUPAC[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
SMILESCC(C)=CCOc1ccc(C)cc1CN
InChIInChI=1S/C13H19NO/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8H,7,9,14H2,1-3H3
InChIKeyGVNGIBIBSIOWSD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds4

About [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine

[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine (PubChem CID 63322907) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
PubChem CID63322907
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
SMILESCC(C)=CCOc1ccc(C)cc1CN
InChIInChI=1S/C13H19NO/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8H,7,9,14H2,1-3H3
InChIKeyGVNGIBIBSIOWSD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
CID 63325352
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methanamine
CID 60879625
(2-but-2-ynoxy-5-methylphenyl)methanamine
CID 63322467
3-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 77011485
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 63322374
(2-but-3-ynoxy-5-methylphenyl)methanamine
CID 63322863
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
CID 143611312
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine?
The IUPAC name of [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine (CID 63322907) is [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine?
The canonical SMILES for [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine is CC(C)=CCOc1ccc(C)cc1CN.
What is the InChIKey of [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine?
The InChIKey is GVNGIBIBSIOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8H,7,9,14H2,1-3H3.
What are the key properties of [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine?
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 63322907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).