1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine

C13H17Cl2N — CID 64514572

IUPAC1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-2-9-5-6-13(16,8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8,16H2,1H3
InChIKeyMBNDMKQMZMAYDW-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.36
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine

1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine (PubChem CID 64514572) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
PubChem CID64514572
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H17Cl2N/c1-2-9-5-6-13(16,8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8,16H2,1H3
InChIKeyMBNDMKQMZMAYDW-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Chlorophenyl)propan-2-amine
CID 13569521
2-(3,4-Dichlorophenyl)cyclopentan-1-amine
CID 62604950
(S)-1-(3,4-Dichlorophenyl)ethanamine
CID 793512
(R)-1-(3,4-dichlorophenyl)ethanamine
CID 793515
1-(3,4-Dichlorophenyl)ethan-1-amine hydrochloride
CID 45791924
1-(4-Chlorophenyl)-1-methylethylamine
CID 11030256
1-(3,4-Dichlorophenyl)-2-methylpropan-1-amine
CID 12559049
1-(3-Chlorophenyl)cyclopentan-1-amine
CID 24274026
2-(4-Chlorophenyl)propan-2-amine hydrochloride
CID 45158337
2-(3-Chlorophenyl)propan-2-amine hydrochloride
CID 45158338
1-(4-Chlorophenyl)cyclopentan-1-amine hydrochloride
CID 47002947
1-(3,4-Dichlorophenyl)but-3-EN-1-amine
CID 15852699

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine (CID 64514572) is 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine is CCC1CCC(N)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine?
The InChIKey is MBNDMKQMZMAYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-2-9-5-6-13(16,8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8,16H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine?
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64514572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).