2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine

C13H17Cl2N — CID 115847384

IUPAC2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
SMILESNC(CC1CCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-3-1-2-4-9/h6-9,13H,1-5,16H2
InChIKeyVLTQRYXNSYMOMR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.57
Rot. Bonds3

About 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine

2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine (PubChem CID 115847384) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
PubChem CID115847384
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine
SMILESNC(CC1CCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-3-1-2-4-9/h6-9,13H,1-5,16H2
InChIKeyVLTQRYXNSYMOMR-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
CID 171215301
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine (CID 115847384) is 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine is NC(CC1CCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine?
The InChIKey is VLTQRYXNSYMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-11-6-10(7-12(15)8-11)13(16)5-9-3-1-2-4-9/h6-9,13H,1-5,16H2.
What are the key properties of 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine?
2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine has a molecular weight of 258.19 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115847384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).