3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one

C15H21NO2 — CID 114523846

IUPAC3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
SMILESCCC(CN)CC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H21NO2/c1-2-11(10-16)8-15(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,9,11,13H,2,6-8,10,16H2,1H3
InChIKeyFOQUOQSZWMFRBC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.79
Rot. Bonds7

About 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one

3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one (PubChem CID 114523846) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
PubChem CID114523846
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
SMILESCCC(CN)CC(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H21NO2/c1-2-11(10-16)8-15(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,9,11,13H,2,6-8,10,16H2,1H3
InChIKeyFOQUOQSZWMFRBC-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
3-(aminomethyl)-1-(3,5-dimethylphenyl)pentan-1-one
CID 116596132
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 114521180

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one (CID 114523846) is 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one is CCC(CN)CC(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one?
The InChIKey is FOQUOQSZWMFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-11(10-16)8-15(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,9,11,13H,2,6-8,10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one?
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one is sourced from PubChem (CID 114523846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).