1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

C14H20Cl2N2 — CID 55081380

IUPAC1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-17-9-11-4-6-18(10-11)7-5-12-2-3-13(15)8-14(12)16/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyWIERKYOCBOVDMT-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 55081380) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID55081380
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(CCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-17-9-11-4-6-18(10-11)7-5-12-2-3-13(15)8-14(12)16/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyWIERKYOCBOVDMT-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
tert-butyl formate;1-[1-[2-(5-chloro-2-ethoxyphenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine;ethane
CID 177027714
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922028
1-[1-[2-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62615965
3-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]piperazine
CID 64926673
1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 55081380) is 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(CCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is WIERKYOCBOVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17-9-11-4-6-18(10-11)7-5-12-2-3-13(15)8-14(12)16/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55081380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).