N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C14H20Cl2N2 — CID 15113313

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-13(15)14(16)10-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyFVDIBFWPKYGJJP-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.52
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 15113313) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID15113313
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-13(15)14(16)10-12/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyFVDIBFWPKYGJJP-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
BD 1063 Dihydrochloride
CID 11617161
Piperazine, 1-[3-fluoropropyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 594236
Piperazine, 1-[5-fluoropentyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 604376
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
(2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-methyl-amine
CID 5026275
1-Pyrrolidineethanamine, N-(2-(3,4-dichlorophenyl)ethyl)-N-ethyl-
CID 9796923
[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(1-methyl-2-pyrrolidin-1-yl-ethyl)-amine
CID 15113312

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 15113313) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CN(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is FVDIBFWPKYGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17(8-9-18-6-2-3-7-18)11-12-4-5-13(15)14(16)10-12/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 15113313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).