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

C14H21NO2 — CID 82367309

IUPAC4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
SMILESCOc1ccc(C(=O)CCCN)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12-9-11(6-7-14(12)17-3)13(16)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyPVWXTCFWWGDQBG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.74
Rot. Bonds6

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

4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one (PubChem CID 82367309) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
PubChem CID82367309
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
SMILESCOc1ccc(C(=O)CCCN)cc1C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)12-9-11(6-7-14(12)17-3)13(16)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyPVWXTCFWWGDQBG-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94275905
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
(E)-4-(4-methoxy-3-propan-2-ylphenyl)-5-methylhex-3-en-1-amine
CID 95467750
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one (CID 82367309) is 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one is COc1ccc(C(=O)CCCN)cc1C(C)C.
What is the InChIKey of 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one?
The InChIKey is PVWXTCFWWGDQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-9-11(6-7-14(12)17-3)13(16)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3.
What are the key properties of 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one?
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 82367309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).