3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one

C15H23NO2 — CID 116567406

IUPAC3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-6-4-12(5-7-13)10-15(17)14(16)8-9-18-3/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyNUOVZPBQGYZQKH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds7

About 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one

3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one (PubChem CID 116567406) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
PubChem CID116567406
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)13-6-4-12(5-7-13)10-15(17)14(16)8-9-18-3/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyNUOVZPBQGYZQKH-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
CID 116567202
1,1-diethoxy-3-(4-propan-2-ylphenyl)propan-2-one
CID 79494965
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
3-amino-1-(4-iodophenyl)-4-methoxybutan-2-one
CID 116594145
3-amino-6-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-one
CID 116593633
3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116567370
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
3-amino-1-(4-chlorophenyl)-5-methylhexan-2-one
CID 116553421
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116567372
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 62474124

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one?
The IUPAC name of 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one (CID 116567406) is 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one?
The canonical SMILES for 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one is COCCC(N)C(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one?
The InChIKey is NUOVZPBQGYZQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)13-6-4-12(5-7-13)10-15(17)14(16)8-9-18-3/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one?
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 116567406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).