1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine

C12H16Cl2N2 — CID 117017057

IUPAC1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2/c1-12(2)10(15)6-7-16(12)9-5-3-4-8(13)11(9)14/h3-5,10H,6-7,15H2,1-2H3
InChIKeyXRXNSBZPGHBRIN-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.31
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine

1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine (PubChem CID 117017057) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
PubChem CID117017057
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2/c1-12(2)10(15)6-7-16(12)9-5-3-4-8(13)11(9)14/h3-5,10H,6-7,15H2,1-2H3
InChIKeyXRXNSBZPGHBRIN-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016879
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017251
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019807
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
CID 117019217
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019215
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019307
1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one
CID 155165299
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465934

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine (CID 117017057) is 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine is CC1(C)C(N)CCN1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine?
The InChIKey is XRXNSBZPGHBRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-12(2)10(15)6-7-16(12)9-5-3-4-8(13)11(9)14/h3-5,10H,6-7,15H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine?
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine has a molecular weight of 259.18 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).