3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

C14H19Cl2N — CID 107310336

IUPAC3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-14(7-6-11(9-14)17-2)8-10-4-3-5-12(15)13(10)16/h3-5,11,17H,6-9H2,1-2H3
InChIKeyFMMVTKIVWRCYLZ-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.31
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine

3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 107310336) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID107310336
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-14(7-6-11(9-14)17-2)8-10-4-3-5-12(15)13(10)16/h3-5,11,17H,6-9H2,1-2H3
InChIKeyFMMVTKIVWRCYLZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116538974
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539047
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539264
3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539016
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
3-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539811
1-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 107310618
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
N-[[2-[(2,3-dichlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 107311097

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 107310336) is 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is FMMVTKIVWRCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-14(7-6-11(9-14)17-2)8-10-4-3-5-12(15)13(10)16/h3-5,11,17H,6-9H2,1-2H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107310336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).