2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one

C14H18ClNO — CID 55094732

IUPAC2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
SMILESCN(Cc1cccc(Cl)c1)CC1CCCC1=O
InChIInChI=1S/C14H18ClNO/c1-16(10-12-5-3-7-14(12)17)9-11-4-2-6-13(15)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeyGTOLTKISFDKCTA-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.14
Rot. Bonds4

About 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one

2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one (PubChem CID 55094732) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
PubChem CID55094732
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
SMILESCN(Cc1cccc(Cl)c1)CC1CCCC1=O
InChIInChI=1S/C14H18ClNO/c1-16(10-12-5-3-7-14(12)17)9-11-4-2-6-13(15)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeyGTOLTKISFDKCTA-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
5-[[(3-chlorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866419
(3aS,7aS)-2-[[(3-chlorophenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11906580
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
CID 79569131
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one (CID 55094732) is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one is CN(Cc1cccc(Cl)c1)CC1CCCC1=O.
What is the InChIKey of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one?
The InChIKey is GTOLTKISFDKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-16(10-12-5-3-7-14(12)17)9-11-4-2-6-13(15)8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3.
What are the key properties of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one?
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one is sourced from PubChem (CID 55094732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).