N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine

C14H19NO — CID 104804559

IUPACN-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
SMILESCC#CCCOc1ccccc1C(C)NC
InChIInChI=1S/C14H19NO/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,8,11H2,1-3H3
InChIKeyHIXWGIJDLYFJML-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine

N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine (PubChem CID 104804559) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
PubChem CID104804559
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
SMILESCC#CCCOc1ccccc1C(C)NC
InChIInChI=1S/C14H19NO/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,8,11H2,1-3H3
InChIKeyHIXWGIJDLYFJML-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
CID 104660894
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine?
The IUPAC name of N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine (CID 104804559) is N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine is CC#CCCOc1ccccc1C(C)NC.
What is the InChIKey of N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine?
The InChIKey is HIXWGIJDLYFJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,8,11H2,1-3H3.
What are the key properties of N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine?
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine is sourced from PubChem (CID 104804559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).