1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C14H19Cl2N — CID 80705450

IUPAC1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-13(2)5-6-14(17,9-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,5-6,8-9,17H2,1-2H3
InChIKeyFKDCDPNXDIAZGM-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.44
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705450) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80705450
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-13(2)5-6-14(17,9-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,5-6,8-9,17H2,1-2H3
InChIKeyFKDCDPNXDIAZGM-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Clortermine
CID 25223
Chlorphentermine Hydrochloride
CID 65477
Chlorphentermine
CID 10007
Clortermine Hydrochloride
CID 66361
1-(2,4-Dichlorophenyl)propan-2-amine--hydrogen chloride (1/1)
CID 3041174
[1-(2,4-Dichlorophenyl)cyclohexyl]methanamine
CID 24274049
1-(2,4-Dichlorophenyl)propan-2-amine
CID 3041175
2-(2,4-Dichlorophenyl)-2-methylpropan-1-amine
CID 24274040
1-[2-(2,4-Dichlorophenyl)ethyl]-2,2-dimethylpropylamine
CID 43370493
2-(2,6-Dichlorophenyl)propan-2-amine
CID 21492960
1-((4-Chlorophenyl)methyl)cyclopentan-1-amine
CID 24259209
(1-(2,4-Dichlorophenyl)cyclopentyl)methanamine
CID 24274047

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 80705450) is 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(N)(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is FKDCDPNXDIAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-13(2)5-6-14(17,9-13)8-10-3-4-11(15)7-12(10)16/h3-4,7H,5-6,8-9,17H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).