N-[(2-but-3-ynoxyphenyl)methyl]ethanamine

C13H17NO — CID 60881032

IUPACN-[(2-but-3-ynoxyphenyl)methyl]ethanamine
SMILESC#CCCOc1ccccc1CNCC
InChIInChI=1S/C13H17NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h1,6-9,14H,4-5,10-11H2,2H3
InChIKeyFAVNBKLDYZFOKT-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds6

About N-[(2-but-3-ynoxyphenyl)methyl]ethanamine

N-[(2-but-3-ynoxyphenyl)methyl]ethanamine (PubChem CID 60881032) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(2-but-3-ynoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-but-3-ynoxyphenyl)methyl]ethanamine
PubChem CID60881032
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(2-but-3-ynoxyphenyl)methyl]ethanamine
SMILESC#CCCOc1ccccc1CNCC
InChIInChI=1S/C13H17NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h1,6-9,14H,4-5,10-11H2,2H3
InChIKeyFAVNBKLDYZFOKT-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
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

N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-ynoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-but-3-ynoxyphenyl)methyl]ethanamine (CID 60881032) is N-[(2-but-3-ynoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-but-3-ynoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-but-3-ynoxyphenyl)methyl]ethanamine is C#CCCOc1ccccc1CNCC.
What is the InChIKey of N-[(2-but-3-ynoxyphenyl)methyl]ethanamine?
The InChIKey is FAVNBKLDYZFOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h1,6-9,14H,4-5,10-11H2,2H3.
What are the key properties of N-[(2-but-3-ynoxyphenyl)methyl]ethanamine?
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine has a molecular weight of 203.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-ynoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60881032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).