2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine

C14H21ClN2 — CID 117017576

IUPAC2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1c1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyVQHIXDIGBDUUDE-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.29
Rot. Bonds3

About 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine

2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine (PubChem CID 117017576) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
PubChem CID117017576
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
SMILESCC1(C)C(CCN)CCN1c1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyVQHIXDIGBDUUDE-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine (CID 117017576) is 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine is CC1(C)C(CCN)CCN1c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
The InChIKey is VQHIXDIGBDUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2)11(7-9-16)8-10-17(14)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine?
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 117017576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).