2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one

C16H23NO2 — CID 114523852

IUPAC2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-11(2)8-13(10-17)16(18)12-4-3-5-15(9-12)19-14-6-7-14/h3-5,9,11,13-14H,6-8,10,17H2,1-2H3
InChIKeyZLCYDBFSWXKJFP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds7

About 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one

2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one (PubChem CID 114523852) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
PubChem CID114523852
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
SMILESCC(C)CC(CN)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H23NO2/c1-11(2)8-13(10-17)16(18)12-4-3-5-15(9-12)19-14-6-7-14/h3-5,9,11,13-14H,6-8,10,17H2,1-2H3
InChIKeyZLCYDBFSWXKJFP-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
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
2-(aminomethyl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116598012
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
3-(aminomethyl)-1-(3-cyclopropyloxyphenyl)pentan-1-one
CID 114523846
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one (CID 114523852) is 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one is CC(C)CC(CN)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one?
The InChIKey is ZLCYDBFSWXKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)8-13(10-17)16(18)12-4-3-5-15(9-12)19-14-6-7-14/h3-5,9,11,13-14H,6-8,10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one?
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 114523852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).