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

C15H23NO — CID 116916232

IUPAC4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
SMILESCc1ccc(C(C)C)cc1C(=O)CCC(C)N
InChIInChI=1S/C15H23NO/c1-10(2)13-7-5-11(3)14(9-13)15(17)8-6-12(4)16/h5,7,9-10,12H,6,8,16H2,1-4H3
InChIKeyMQHWGDNVWWFUEW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.43
Rot. Bonds5

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

4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one (PubChem CID 116916232) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
PubChem CID116916232
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
SMILESCc1ccc(C(C)C)cc1C(=O)CCC(C)N
InChIInChI=1S/C15H23NO/c1-10(2)13-7-5-11(3)14(9-13)15(17)8-6-12(4)16/h5,7,9-10,12H,6,8,16H2,1-4H3
InChIKeyMQHWGDNVWWFUEW-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
CID 116610017
2-(2-methyl-5-propan-2-ylphenyl)-2-oxoacetic acid
CID 82470282
3-bromo-1-(2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822755
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
2-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 82487811
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)propan-1-one
CID 12822785
2-[3-(3-bromopropanoyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 135741178
(3-aminocyclobutyl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 116917735
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one?
The IUPAC name of 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one (CID 116916232) is 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one is Cc1ccc(C(C)C)cc1C(=O)CCC(C)N.
What is the InChIKey of 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one?
The InChIKey is MQHWGDNVWWFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)13-7-5-11(3)14(9-13)15(17)8-6-12(4)16/h5,7,9-10,12H,6,8,16H2,1-4H3.
What are the key properties of 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one?
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 116916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).