1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine

C12H17ClN2 — CID 117018127

IUPAC1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-12(2)7-9(14)8-15(12)11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyQYAJLEQOOXUIOP-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.66
Rot. Bonds1

About 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine

1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 117018127) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID117018127
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-12(2)7-9(14)8-15(12)11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3
InChIKeyQYAJLEQOOXUIOP-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018867
1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
2-[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018622
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
1-(3-chloro-2-methylphenyl)azetidin-3-amine
CID 117002816
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
1-(2-chlorophenyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019307

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine (CID 117018127) is 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(N)CN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is QYAJLEQOOXUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(2)7-9(14)8-15(12)11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 224.74 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).