1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine

C14H19NO2 — CID 60881368

IUPAC1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
SMILESC#CCCOc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h1,7-8,10-11,15H,6,9H2,2-4H3
InChIKeyOWMTTYIKWVQAPB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine

1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine (PubChem CID 60881368) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
PubChem CID60881368
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
SMILESC#CCCOc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C14H19NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h1,7-8,10-11,15H,6,9H2,2-4H3
InChIKeyOWMTTYIKWVQAPB-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60882115
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
CID 63264668
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine (CID 60881368) is 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine is C#CCCOc1ccc(C(C)NC)cc1OC.
What is the InChIKey of 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is OWMTTYIKWVQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-9-17-13-8-7-12(11(2)15-3)10-14(13)16-4/h1,7-8,10-11,15H,6,9H2,2-4H3.
What are the key properties of 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine?
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 60881368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).