1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine

C17H23Cl2N — CID 53319767

IUPAC1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine
SMILESClc1ccc(C2(CN3CCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2
InChIKeyYWOVEHIRDVATGZ-UHFFFAOYSA-N
MW312.28 g/mol
LogP5.29
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine

1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine (PubChem CID 53319767) has the molecular formula C17H23Cl2N and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine
PubChem CID53319767
Molecular FormulaC17H23Cl2N
Molecular Weight312.28 g/mol
Exact Mass311.12
IUPAC Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine
SMILESClc1ccc(C2(CN3CCCC3)CCCCC2)cc1Cl
InChIInChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2
InChIKeyYWOVEHIRDVATGZ-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.28
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Amitifadine
CID 11658655
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine
CID 126388
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CID 11680542
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
Pyrrobutamine
CID 8669
1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 9795276
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
Piperazine, 1-[5-fluoropentyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 604376
1-Pyrrolidineethanamine, N-(2-(3,4-dichlorophenyl)ethyl)-N-ethyl-
CID 9796923

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine (CID 53319767) is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine is Clc1ccc(C2(CN3CCCC3)CCCCC2)cc1Cl.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine?
The InChIKey is YWOVEHIRDVATGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine?
1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine has a molecular weight of 312.28 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]pyrrolidine is sourced from PubChem (CID 53319767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).