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

C14H21ClN2 — CID 114172884

IUPAC1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2/c1-14(10-16-2)6-7-17(11-14)9-12-4-3-5-13(15)8-12/h3-5,8,16H,6-7,9-11H2,1-2H3
InChIKeyQYCFKIZIQGLOJS-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.77
Rot. Bonds4

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

1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114172884) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114172884
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2/c1-14(10-16-2)6-7-17(11-14)9-12-4-3-5-13(15)8-12/h3-5,8,16H,6-7,9-11H2,1-2H3
InChIKeyQYCFKIZIQGLOJS-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 114172884) is 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is QYCFKIZIQGLOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(10-16-2)6-7-17(11-14)9-12-4-3-5-13(15)8-12/h3-5,8,16H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 252.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114172884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).