2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one

C14H21NO2 — CID 142227491

IUPAC2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
SMILESCC(C)(C)C(=O)C(N)COCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)13(16)12(15)10-17-9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3
InChIKeyNDVHQKFFCZNVTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one

2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one (PubChem CID 142227491) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
PubChem CID142227491
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
SMILESCC(C)(C)C(=O)C(N)COCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)13(16)12(15)10-17-9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3
InChIKeyNDVHQKFFCZNVTJ-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-phenylmethoxybutan-2-one
CID 3355727
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
2,2-dimethylpropanoyl (3R)-3-methyl-4-phenylmethoxybutanoate
CID 134847009
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
CID 134963822
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010016

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one?
The IUPAC name of 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one (CID 142227491) is 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one.
What is the SMILES notation for 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one?
The canonical SMILES for 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one is CC(C)(C)C(=O)C(N)COCc1ccccc1.
What is the InChIKey of 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one?
The InChIKey is NDVHQKFFCZNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)13(16)12(15)10-17-9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3.
What are the key properties of 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one?
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one is sourced from PubChem (CID 142227491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).