1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C14H20Cl2N2 — CID 106318678

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-14(9-17-2)6-7-18(10-14)8-11-12(15)4-3-5-13(11)16/h3-5,17H,6-10H2,1-2H3
InChIKeyVFGKYMXOACQLBY-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.42
Rot. Bonds4

About 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106318678) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106318678
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-14(9-17-2)6-7-18(10-14)8-11-12(15)4-3-5-13(11)16/h3-5,17H,6-10H2,1-2H3
InChIKeyVFGKYMXOACQLBY-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106318678) is 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is VFGKYMXOACQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(9-17-2)6-7-18(10-14)8-11-12(15)4-3-5-13(11)16/h3-5,17H,6-10H2,1-2H3.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106318678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).