N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine

C14H17NO — CID 115866301

IUPACN-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
SMILESC=CCOc1ccccc1CNCC#CC
InChIInChI=1S/C14H17NO/c1-3-5-10-15-12-13-8-6-7-9-14(13)16-11-4-2/h4,6-9,15H,2,10-12H2,1H3
InChIKeyFRKWHGKTNJYPCD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.36
Rot. Bonds6

About N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine

N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine (PubChem CID 115866301) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
PubChem CID115866301
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
SMILESC=CCOc1ccccc1CNCC#CC
InChIInChI=1S/C14H17NO/c1-3-5-10-15-12-13-8-6-7-9-14(13)16-11-4-2/h4,6-9,15H,2,10-12H2,1H3
InChIKeyFRKWHGKTNJYPCD-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-methyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 115664554
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine (CID 115866301) is N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine is C=CCOc1ccccc1CNCC#CC.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine?
The InChIKey is FRKWHGKTNJYPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-5-10-15-12-13-8-6-7-9-14(13)16-11-4-2/h4,6-9,15H,2,10-12H2,1H3.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine?
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine is sourced from PubChem (CID 115866301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).