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

C13H19NO2 — CID 75357386

IUPAC2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
SMILESCOc1ccccc1C(=O)C(N)CC(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)8-11(14)13(15)10-6-4-5-7-12(10)16-3/h4-7,9,11H,8,14H2,1-3H3
InChIKeyNPTMXMQOLPWMBF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds5

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

2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one (PubChem CID 75357386) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
PubChem CID75357386
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
SMILESCOc1ccccc1C(=O)C(N)CC(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)8-11(14)13(15)10-6-4-5-7-12(10)16-3/h4-7,9,11H,8,14H2,1-3H3
InChIKeyNPTMXMQOLPWMBF-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
6-amino-1-(2-methoxyphenyl)-2-methylheptan-1-one
CID 116574362
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one (CID 75357386) is 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one is COc1ccccc1C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one?
The InChIKey is NPTMXMQOLPWMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)8-11(14)13(15)10-6-4-5-7-12(10)16-3/h4-7,9,11H,8,14H2,1-3H3.
What are the key properties of 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one?
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 75357386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).