1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

C15H23ClN2 — CID 117017121

IUPAC1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2c(C)cc(C)cc2Cl)C1(C)C
InChIInChI=1S/C15H23ClN2/c1-10-8-11(2)14(12(16)9-10)18-7-6-13(17-5)15(18,3)4/h8-9,13,17H,6-7H2,1-5H3
InChIKeyZPUJCDHHRYNMLZ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.53
Rot. Bonds2

About 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine

1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (PubChem CID 117017121) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
PubChem CID117017121
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
SMILESCNC1CCN(c2c(C)cc(C)cc2Cl)C1(C)C
InChIInChI=1S/C15H23ClN2/c1-10-8-11(2)14(12(16)9-10)18-7-6-13(17-5)15(18,3)4/h8-9,13,17H,6-7H2,1-5H3
InChIKeyZPUJCDHHRYNMLZ-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019068
1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117017829
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
CID 117017428
1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019307
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023277
1-[1-(2-chloro-4,6-dimethylphenyl)aziridin-2-yl]-N-methylmethanamine
CID 117010202
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
CID 142350924
1-(2,6-dichloro-4-methylphenyl)pyrrolidine
CID 118374334
1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
CID 117024465

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine (CID 117017121) is 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is CNC1CCN(c2c(C)cc(C)cc2Cl)C1(C)C.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
The InChIKey is ZPUJCDHHRYNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10-8-11(2)14(12(16)9-10)18-7-6-13(17-5)15(18,3)4/h8-9,13,17H,6-7H2,1-5H3.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine?
1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).