1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C14H20Cl2N2 — CID 114067818

IUPAC1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1c(Cl)cccc1CCl
InChIInChI=1S/C14H20Cl2N2/c1-17(2)10-12-6-4-8-18(12)14-11(9-15)5-3-7-13(14)16/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyULCOCHOGXMPCRV-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.61
Rot. Bonds4

About 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 114067818) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID114067818
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1c(Cl)cccc1CCl
InChIInChI=1S/C14H20Cl2N2/c1-17(2)10-12-6-4-8-18(12)14-11(9-15)5-3-7-13(14)16/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyULCOCHOGXMPCRV-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

o-Diacetotoluidide, 6'-chloro-2-(pyrrolidinyl)-, hydrochloride
CID 54089
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 59391
N-(2-chloro-4-methylphenyl)-N,N-diethylamine
CID 291901
Niosh/AN3440800
CID 24832617
3-Chloro-2-(4-pyrrolidin-1-ylpiperidin-1-yl)benzonitrile
CID 71978082
(2S)-1-(7-chloro-5-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 59886459
1-[2-Chloro-6-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 139569582
7-Chloro-5-fluoro-1-propan-2-yl-2,3-dihydroindole
CID 146382883
7-Chloro-5-fluoro-1-methyl-2,3-dihydroindole
CID 146382885
1-[2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 155439539
1-Butan-2-yl-7-chloro-5-fluoro-2,3-dihydroindole
CID 166688630
N-(2-chloro-6-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 339973

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 114067818) is 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1c(Cl)cccc1CCl.
What is the InChIKey of 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is ULCOCHOGXMPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17(2)10-12-6-4-8-18(12)14-11(9-15)5-3-7-13(14)16/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 114067818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).