1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine

C15H23ClN2 — CID 83073589

IUPAC1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2cccc(Cl)c2)CCCN1
InChIInChI=1S/C15H23ClN2/c1-3-15(8-5-9-17-15)12-18(2)11-13-6-4-7-14(16)10-13/h4,6-7,10,17H,3,5,8-9,11-12H2,1-2H3
InChIKeyVMVFAISTEFWHCP-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine

1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine (PubChem CID 83073589) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
PubChem CID83073589
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
SMILESCCC1(CN(C)Cc2cccc(Cl)c2)CCCN1
InChIInChI=1S/C15H23ClN2/c1-3-15(8-5-9-17-15)12-18(2)11-13-6-4-7-14(16)10-13/h4,6-7,10,17H,3,5,8-9,11-12H2,1-2H3
InChIKeyVMVFAISTEFWHCP-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine (CID 83073589) is 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine is CCC1(CN(C)Cc2cccc(Cl)c2)CCCN1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is VMVFAISTEFWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-15(8-5-9-17-15)12-18(2)11-13-6-4-7-14(16)10-13/h4,6-7,10,17H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine?
1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 83073589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).