2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine

C16H23NO — CID 115616903

IUPAC2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
SMILESC#CCOc1ccccc1CNCC(CC)CC
InChIInChI=1S/C16H23NO/c1-4-11-18-16-10-8-7-9-15(16)13-17-12-14(5-2)6-3/h1,7-10,14,17H,5-6,11-13H2,2-3H3
InChIKeyHAPOQLSXQKKVJY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds8

About 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine

2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine (PubChem CID 115616903) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
PubChem CID115616903
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
SMILESC#CCOc1ccccc1CNCC(CC)CC
InChIInChI=1S/C16H23NO/c1-4-11-18-16-10-8-7-9-15(16)13-17-12-14(5-2)6-3/h1,7-10,14,17H,5-6,11-13H2,2-3H3
InChIKeyHAPOQLSXQKKVJY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385
2-methyl-3-[(2-prop-2-ynoxyphenyl)methylamino]propanenitrile
CID 62646548
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
CID 103845579
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
CID 28607461
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119124991
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine (CID 115616903) is 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine is C#CCOc1ccccc1CNCC(CC)CC.
What is the InChIKey of 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine?
The InChIKey is HAPOQLSXQKKVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-11-18-16-10-8-7-9-15(16)13-17-12-14(5-2)6-3/h1,7-10,14,17H,5-6,11-13H2,2-3H3.
What are the key properties of 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine?
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 115616903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).