1-amino-4-(2-methylphenoxy)pentan-2-one

C12H17NO2 — CID 82395635

IUPAC1-amino-4-(2-methylphenoxy)pentan-2-one
SMILESCc1ccccc1OC(C)CC(=O)CN
InChIInChI=1S/C12H17NO2/c1-9-5-3-4-6-12(9)15-10(2)7-11(14)8-13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyNZKHZCQXVMJWSF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds5

About 1-amino-4-(2-methylphenoxy)pentan-2-one

1-amino-4-(2-methylphenoxy)pentan-2-one (PubChem CID 82395635) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-amino-4-(2-methylphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-amino-4-(2-methylphenoxy)pentan-2-one
PubChem CID82395635
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-amino-4-(2-methylphenoxy)pentan-2-one
SMILESCc1ccccc1OC(C)CC(=O)CN
InChIInChI=1S/C12H17NO2/c1-9-5-3-4-6-12(9)15-10(2)7-11(14)8-13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyNZKHZCQXVMJWSF-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
4-(2-methylphenoxy)pentan-2-amine
CID 64707496
2-(2-methylphenoxy)propylhydrazine
CID 82280822
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
ethyl 3-[2-(2-phenylphenyl)phenoxy]butanoate
CID 91197703

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methylphenoxy)pentan-2-one?
The IUPAC name of 1-amino-4-(2-methylphenoxy)pentan-2-one (CID 82395635) is 1-amino-4-(2-methylphenoxy)pentan-2-one.
What is the SMILES notation for 1-amino-4-(2-methylphenoxy)pentan-2-one?
The canonical SMILES for 1-amino-4-(2-methylphenoxy)pentan-2-one is Cc1ccccc1OC(C)CC(=O)CN.
What is the InChIKey of 1-amino-4-(2-methylphenoxy)pentan-2-one?
The InChIKey is NZKHZCQXVMJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-3-4-6-12(9)15-10(2)7-11(14)8-13/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of 1-amino-4-(2-methylphenoxy)pentan-2-one?
1-amino-4-(2-methylphenoxy)pentan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methylphenoxy)pentan-2-one is sourced from PubChem (CID 82395635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).