1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one

C15H22ClNO — CID 43796020

IUPAC1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
SMILESCCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-4-5-6-11-17(3)12(2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyQBKAZIDJVBSKBA-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.03
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one

1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one (PubChem CID 43796020) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
PubChem CID43796020
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
SMILESCCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO/c1-4-5-6-11-17(3)12(2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyQBKAZIDJVBSKBA-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bupropion
CID 444
Diethylpropion
CID 7029
Bupropion Hydrochloride
CID 62884
Diethylpropion Hydrochloride
CID 91442
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Bupropion Hydrobromide
CID 11984562
Hptp
CID 171187
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
3-Chloromethcathinone hydrochloride
CID 90645589
(R)-Bupropion
CID 688387
3-Cec
CID 90645581

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one (CID 43796020) is 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one is CCCCCN(C)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
The InChIKey is QBKAZIDJVBSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-5-6-11-17(3)12(2)15(18)13-7-9-14(16)10-8-13/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one has a molecular weight of 267.80 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one is sourced from PubChem (CID 43796020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).