(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine

C12H17NO2 — CID 62389675

IUPAC(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
SMILESC=CC(C)Oc1ccc(OC)cc1CN
InChIInChI=1S/C12H17NO2/c1-4-9(2)15-12-6-5-11(14-3)7-10(12)8-13/h4-7,9H,1,8,13H2,2-3H3
InChIKeyBXLCMBQXBPWVLZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.11
Rot. Bonds5

About (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine

(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine (PubChem CID 62389675) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
PubChem CID62389675
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
SMILESC=CC(C)Oc1ccc(OC)cc1CN
InChIInChI=1S/C12H17NO2/c1-4-9(2)15-12-6-5-11(14-3)7-10(12)8-13/h4-7,9H,1,8,13H2,2-3H3
InChIKeyBXLCMBQXBPWVLZ-UHFFFAOYSA-N
XLogP2.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-but-3-en-2-yloxyphenyl)methanamine
CID 62387607
(6-but-3-en-2-yloxy-1,3-benzodioxol-5-yl)methanamine
CID 62390028
2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
CID 139576547
potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
CID 104706192
2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
CID 63326191
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
3-[2-(aminomethyl)-4-methoxyphenoxy]propane-1,2-diol
CID 82843216
N-[(2-but-3-en-2-yloxy-5-methylphenyl)methyl]propan-2-amine
CID 63323315
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803

Frequently Asked Questions

What is the IUPAC name of (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine?
The IUPAC name of (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine (CID 62389675) is (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine.
What is the SMILES notation for (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine?
The canonical SMILES for (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine is C=CC(C)Oc1ccc(OC)cc1CN.
What is the InChIKey of (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine?
The InChIKey is BXLCMBQXBPWVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(2)15-12-6-5-11(14-3)7-10(12)8-13/h4-7,9H,1,8,13H2,2-3H3.
What are the key properties of (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine?
(2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-en-2-yloxy-5-methoxyphenyl)methanamine is sourced from PubChem (CID 62389675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).