1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one

C16H23NO — CID 112677458

IUPAC1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCCCCC1C
InChIInChI=1S/C16H23NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyOGRCIOYWVOUNCL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.05
Rot. Bonds3

About 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one

1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one (PubChem CID 112677458) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
PubChem CID112677458
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCCCCC1C
InChIInChI=1S/C16H23NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyOGRCIOYWVOUNCL-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]propan-1-one
CID 102726715
2-amino-3-(2-methylazepan-1-yl)benzamide
CID 113333036
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
(1S)-1-[2-(2-methylazepan-1-yl)phenyl]propan-1-ol
CID 103960186
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 115994624
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
CID 112677439
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
2-amino-3-(2-methylpyrrolidin-1-yl)benzoic acid
CID 115544084
ethyl 2-amino-3-(2-methylpyrrolidin-1-yl)benzoate
CID 115544087
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
CID 86070231
2,3-difluoro-4-(2-methylazepan-1-yl)benzoic acid
CID 107935752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one (CID 112677458) is 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCCCCC1C.
What is the InChIKey of 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one?
The InChIKey is OGRCIOYWVOUNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-16(18)14-10-6-7-11-15(14)17-12-8-4-5-9-13(17)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one?
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 112677458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).