1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine

C17H19NO3 — CID 94074405

IUPAC1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESC#CCOc1c(CNCc2ccco2)cccc1OCC
InChIInChI=1S/C17H19NO3/c1-3-10-21-17-14(7-5-9-16(17)19-4-2)12-18-13-15-8-6-11-20-15/h1,5-9,11,18H,4,10,12-13H2,2H3
InChIKeyGIWWAHOUSAJKBN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.98
Rot. Bonds8

About 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine

1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 94074405) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID94074405
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESC#CCOc1c(CNCc2ccco2)cccc1OCC
InChIInChI=1S/C17H19NO3/c1-3-10-21-17-14(7-5-9-16(17)19-4-2)12-18-13-15-8-6-11-20-15/h1,5-9,11,18H,4,10,12-13H2,2H3
InChIKeyGIWWAHOUSAJKBN-UHFFFAOYSA-N
XLogP2.98
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 94074408
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
2-methoxy-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63058112
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine (CID 94074405) is 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine is C#CCOc1c(CNCc2ccco2)cccc1OCC.
What is the InChIKey of 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is GIWWAHOUSAJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-10-21-17-14(7-5-9-16(17)19-4-2)12-18-13-15-8-6-11-20-15/h1,5-9,11,18H,4,10,12-13H2,2H3.
What are the key properties of 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine?
1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 285.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 94074405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).