N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine

C17H27NO3 — CID 63062478

IUPACN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CNCCOC
InChIInChI=1S/C17H27NO3/c1-5-10-20-16-8-7-15(13-18-9-11-19-4)17(12-16)21-14(3)6-2/h6-8,12,14,18H,2,5,9-11,13H2,1,3-4H3
InChIKeySRWSOQINWCRZHQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds11

About N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine

N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 63062478) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID63062478
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CNCCOC
InChIInChI=1S/C17H27NO3/c1-5-10-20-16-8-7-15(13-18-9-11-19-4)17(12-16)21-14(3)6-2/h6-8,12,14,18H,2,5,9-11,13H2,1,3-4H3
InChIKeySRWSOQINWCRZHQ-UHFFFAOYSA-N
XLogP3.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 62387770
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[2-[(2-methoxyethylamino)methyl]-5-propoxyphenoxy]acetamide
CID 63061452
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
N-[[4-but-3-en-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63319979

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine (CID 63062478) is N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine is C=CC(C)Oc1cc(OCCC)ccc1CNCCOC.
What is the InChIKey of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is SRWSOQINWCRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-10-20-16-8-7-15(13-18-9-11-19-4)17(12-16)21-14(3)6-2/h6-8,12,14,18H,2,5,9-11,13H2,1,3-4H3.
What are the key properties of N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine?
N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63062478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).