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

C12H15Cl2N — CID 107307055

IUPAC2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyKOJPDZJOSPUNBS-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.66
Rot. Bonds2

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

2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine (PubChem CID 107307055) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
PubChem CID107307055
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2
InChIKeyKOJPDZJOSPUNBS-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
1-[(2-bromocyclopentyl)methyl]-2,3-dichlorobenzene
CID 107309484
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
2-[(2,3-difluorophenyl)methyl]cyclopentan-1-amine
CID 61381585
2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 103290288
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
[2-[(2-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 112655044
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine (CID 107307055) is 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine is NC1CCCC1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine?
The InChIKey is KOJPDZJOSPUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c13-10-5-1-4-9(12(10)14)7-8-3-2-6-11(8)15/h1,4-5,8,11H,2-3,6-7,15H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine?
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine has a molecular weight of 244.16 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 107307055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).