4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one

C14H19NO2 — CID 114523847

IUPAC4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(9-15)7-14(16)11-3-2-4-13(8-11)17-12-5-6-12/h2-4,8,10,12H,5-7,9,15H2,1H3
InChIKeyZYTXPKUWLHBEQL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds6

About 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one

4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one (PubChem CID 114523847) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
PubChem CID114523847
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(9-15)7-14(16)11-3-2-4-13(8-11)17-12-5-6-12/h2-4,8,10,12H,5-7,9,15H2,1H3
InChIKeyZYTXPKUWLHBEQL-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one (CID 114523847) is 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one is CC(CN)CC(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one?
The InChIKey is ZYTXPKUWLHBEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(9-15)7-14(16)11-3-2-4-13(8-11)17-12-5-6-12/h2-4,8,10,12H,5-7,9,15H2,1H3.
What are the key properties of 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one?
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 114523847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).