3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine

C13H17Cl2N — CID 116539237

IUPAC3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-13(6-5-10(8-13)16-2)9-3-4-11(14)12(15)7-9/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyZRNGNRQCFSKOEQ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.02
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine

3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539237) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine
PubChem CID116539237
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-13(6-5-10(8-13)16-2)9-3-4-11(14)12(15)7-9/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyZRNGNRQCFSKOEQ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 66781316
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
1-cyclohexyl-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-methylmethanamine;hydrochloride
CID 13083211
3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclopentan-1-ol
CID 123858531
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
1-(3,4-dichlorophenyl)-2-methylcyclobutan-1-ol
CID 130555024
trans-(1S,3R)-3-(3,4-dichlorophenyl)-3-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 69454668
cis-(1R,3S)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol;cis-(1S,3R)-3-(3,4-dichlorophenyl)-3-(methylaminomethyl)cyclohexan-1-ol
CID 161309621
2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954975
N,3-dimethyl-3-(2-methyltriazol-4-yl)cyclopentan-1-amine
CID 130603161

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine (CID 116539237) is 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine?
The InChIKey is ZRNGNRQCFSKOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-13(6-5-10(8-13)16-2)9-3-4-11(14)12(15)7-9/h3-4,7,10,16H,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine?
3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).