1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine

C13H19ClN2 — CID 117018228

IUPAC1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C13H19ClN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyRPCKBVQZFOKCAH-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine

1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 117018228) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID117018228
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCNC1CN(c2cccc(Cl)c2)C(C)(C)C1
InChIInChI=1S/C13H19ClN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyRPCKBVQZFOKCAH-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
1-(3-chlorophenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018414
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016836
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018247
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(2,5-dimethoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018248
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 117018228) is 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine is CNC1CN(c2cccc(Cl)c2)C(C)(C)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is RPCKBVQZFOKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-13(2)8-11(15-3)9-16(13)12-6-4-5-10(14)7-12/h4-7,11,15H,8-9H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine?
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 117018228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).