5-amino-1-(3-ethylphenyl)hexan-1-one

C14H21NO — CID 116610152

IUPAC5-amino-1-(3-ethylphenyl)hexan-1-one
SMILESCCc1cccc(C(=O)CCCC(C)N)c1
InChIInChI=1S/C14H21NO/c1-3-12-7-5-8-13(10-12)14(16)9-4-6-11(2)15/h5,7-8,10-11H,3-4,6,9,15H2,1-2H3
InChIKeyHOGAFFZSHJECQK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds6

About 5-amino-1-(3-ethylphenyl)hexan-1-one

5-amino-1-(3-ethylphenyl)hexan-1-one (PubChem CID 116610152) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-amino-1-(3-ethylphenyl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-ethylphenyl)hexan-1-one
PubChem CID116610152
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-amino-1-(3-ethylphenyl)hexan-1-one
SMILESCCc1cccc(C(=O)CCCC(C)N)c1
InChIInChI=1S/C14H21NO/c1-3-12-7-5-8-13(10-12)14(16)9-4-6-11(2)15/h5,7-8,10-11H,3-4,6,9,15H2,1-2H3
InChIKeyHOGAFFZSHJECQK-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033
1-(3-ethylphenyl)octan-1-one
CID 115788827
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
6-amino-N-(3-ethylphenyl)-2-methylheptanamide
CID 65293048
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
3-(tert-butylamino)-1-(3-ethylphenyl)propan-1-one
CID 116557940
4-but-3-ynoxy-1-(3-ethylphenyl)butan-1-one
CID 158998439

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-ethylphenyl)hexan-1-one?
The IUPAC name of 5-amino-1-(3-ethylphenyl)hexan-1-one (CID 116610152) is 5-amino-1-(3-ethylphenyl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(3-ethylphenyl)hexan-1-one?
The canonical SMILES for 5-amino-1-(3-ethylphenyl)hexan-1-one is CCc1cccc(C(=O)CCCC(C)N)c1.
What is the InChIKey of 5-amino-1-(3-ethylphenyl)hexan-1-one?
The InChIKey is HOGAFFZSHJECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-7-5-8-13(10-12)14(16)9-4-6-11(2)15/h5,7-8,10-11H,3-4,6,9,15H2,1-2H3.
What are the key properties of 5-amino-1-(3-ethylphenyl)hexan-1-one?
5-amino-1-(3-ethylphenyl)hexan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-ethylphenyl)hexan-1-one is sourced from PubChem (CID 116610152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).