6-amino-1-(2-chlorophenyl)hexan-2-one

C12H16ClNO — CID 116572051

IUPAC6-amino-1-(2-chlorophenyl)hexan-2-one
SMILESNCCCCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c13-12-7-2-1-5-10(12)9-11(15)6-3-4-8-14/h1-2,5,7H,3-4,6,8-9,14H2
InChIKeyYXVMSVQSNZEZAR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.58
Rot. Bonds6

About 6-amino-1-(2-chlorophenyl)hexan-2-one

6-amino-1-(2-chlorophenyl)hexan-2-one (PubChem CID 116572051) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-amino-1-(2-chlorophenyl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2-chlorophenyl)hexan-2-one
PubChem CID116572051
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name6-amino-1-(2-chlorophenyl)hexan-2-one
SMILESNCCCCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c13-12-7-2-1-5-10(12)9-11(15)6-3-4-8-14/h1-2,5,7H,3-4,6,8-9,14H2
InChIKeyYXVMSVQSNZEZAR-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 63409482
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6-amino-1-phenylhexan-2-one
CID 57063081
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
CID 116582920
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-chlorophenyl)hexan-2-one?
The IUPAC name of 6-amino-1-(2-chlorophenyl)hexan-2-one (CID 116572051) is 6-amino-1-(2-chlorophenyl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(2-chlorophenyl)hexan-2-one?
The canonical SMILES for 6-amino-1-(2-chlorophenyl)hexan-2-one is NCCCCC(=O)Cc1ccccc1Cl.
What is the InChIKey of 6-amino-1-(2-chlorophenyl)hexan-2-one?
The InChIKey is YXVMSVQSNZEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12-7-2-1-5-10(12)9-11(15)6-3-4-8-14/h1-2,5,7H,3-4,6,8-9,14H2.
What are the key properties of 6-amino-1-(2-chlorophenyl)hexan-2-one?
6-amino-1-(2-chlorophenyl)hexan-2-one has a molecular weight of 225.72 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-chlorophenyl)hexan-2-one is sourced from PubChem (CID 116572051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).