4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine

C15H23NO2 — CID 64604622

IUPAC4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
SMILESC=CCOc1ccccc1CNC(C)CCOC
InChIInChI=1S/C15H23NO2/c1-4-10-18-15-8-6-5-7-14(15)12-16-13(2)9-11-17-3/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyKHWCJBOZDMUBPH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds9

About 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine

4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine (PubChem CID 64604622) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
PubChem CID64604622
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
SMILESC=CCOc1ccccc1CNC(C)CCOC
InChIInChI=1S/C15H23NO2/c1-4-10-18-15-8-6-5-7-14(15)12-16-13(2)9-11-17-3/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyKHWCJBOZDMUBPH-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
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

1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 81369954
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine (CID 64604622) is 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine is C=CCOc1ccccc1CNC(C)CCOC.
What is the InChIKey of 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine?
The InChIKey is KHWCJBOZDMUBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-10-18-15-8-6-5-7-14(15)12-16-13(2)9-11-17-3/h4-8,13,16H,1,9-12H2,2-3H3.
What are the key properties of 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine?
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 64604622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).