5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one

C13H19NO2 — CID 116613517

IUPAC5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
SMILESCOc1ccc(C(=O)C(C)CCCN)cc1
InChIInChI=1S/C13H19NO2/c1-10(4-3-9-14)13(15)11-5-7-12(16-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyUZMUIGLQVFUCBU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds6

About 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one

5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one (PubChem CID 116613517) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
PubChem CID116613517
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
SMILESCOc1ccc(C(=O)C(C)CCCN)cc1
InChIInChI=1S/C13H19NO2/c1-10(4-3-9-14)13(15)11-5-7-12(16-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyUZMUIGLQVFUCBU-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
CID 116613497
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(3-methyl-4-oxo-4-phenylbutyl) 4-methoxybenzoate
CID 102488196
(2S)-6-amino-2-[(4-methoxybenzoyl)amino]hexanoic acid
CID 54464551
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
(4-methoxyphenyl) 2-methylhexanoate
CID 174280566

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one (CID 116613517) is 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one is COc1ccc(C(=O)C(C)CCCN)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one?
The InChIKey is UZMUIGLQVFUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(4-3-9-14)13(15)11-5-7-12(16-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3.
What are the key properties of 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one?
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 116613517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).