5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one

C16H22ClNO — CID 79866419

IUPAC5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(Cc1cccc(Cl)c1)CC1CCC(C)(C)C1=O
InChIInChI=1S/C16H22ClNO/c1-16(2)8-7-13(15(16)19)11-18(3)10-12-5-4-6-14(17)9-12/h4-6,9,13H,7-8,10-11H2,1-3H3
InChIKeyJIQQIFWXBBSAJS-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.78
Rot. Bonds4

About 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one

5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79866419) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79866419
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCN(Cc1cccc(Cl)c1)CC1CCC(C)(C)C1=O
InChIInChI=1S/C16H22ClNO/c1-16(2)8-7-13(15(16)19)11-18(3)10-12-5-4-6-14(17)9-12/h4-6,9,13H,7-8,10-11H2,1-3H3
InChIKeyJIQQIFWXBBSAJS-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
2,2-dimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentan-1-one
CID 79865573
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
CID 79865978
(3aS,7aS)-2-[[(3-chlorophenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11906580
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79866419) is 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one is CN(Cc1cccc(Cl)c1)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is JIQQIFWXBBSAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-16(2)8-7-13(15(16)19)11-18(3)10-12-5-4-6-14(17)9-12/h4-6,9,13H,7-8,10-11H2,1-3H3.
What are the key properties of 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 279.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79866419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).