N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H19Cl2N — CID 65317315

IUPACN-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C14H19Cl2N/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3
InChIKeyCXNHAMQHDIVEQC-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.52
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 65317315) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID65317315
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C14H19Cl2N/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3
InChIKeyCXNHAMQHDIVEQC-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 114842394
N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907420
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
N-[(2,5-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65316441
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
N-[2-(2,4-dichlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64774529
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 65317315) is N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2cc(Cl)ccc2Cl)C1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is CXNHAMQHDIVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 65317315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).