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

C12H17ClN2 — CID 117018128

IUPAC1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-12(2)7-10(14)8-15(12)11-5-3-4-9(13)6-11/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVLAXUNXXKVUJPD-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.66
Rot. Bonds1

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

1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 117018128) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID117018128
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC1(C)CC(N)CN1c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-12(2)7-10(14)8-15(12)11-5-3-4-9(13)6-11/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVLAXUNXXKVUJPD-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-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
1-(3-chlorophenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018414
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
methyl 3-(5-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117021047
(6R)-4-phenyl-4-azaspiro[2.4]heptan-6-amine
CID 178166239
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465728
1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine (CID 117018128) is 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine is CC1(C)CC(N)CN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is VLAXUNXXKVUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-12(2)7-10(14)8-15(12)11-5-3-4-9(13)6-11/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine?
1-(3-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-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).