2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

C16H25NO2 — CID 61170859

IUPAC2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CNCCOCCCC
InChIInChI=1S/C16H25NO2/c1-3-5-12-18-13-10-17-14-15-8-6-7-9-16(15)19-11-4-2/h4,6-9,17H,2-3,5,10-14H2,1H3
InChIKeyCOISQINWBRWLMO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds11

About 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine

2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 61170859) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID61170859
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccccc1CNCCOCCCC
InChIInChI=1S/C16H25NO2/c1-3-5-12-18-13-10-17-14-15-8-6-7-9-16(15)19-11-4-2/h4,6-9,17H,2-3,5,10-14H2,1H3
InChIKeyCOISQINWBRWLMO-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine (CID 61170859) is 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccccc1CNCCOCCCC.
What is the InChIKey of 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is COISQINWBRWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-12-18-13-10-17-14-15-8-6-7-9-16(15)19-11-4-2/h4,6-9,17H,2-3,5,10-14H2,1H3.
What are the key properties of 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine?
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 61170859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).