1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine

C13H18Cl2N2 — CID 84747889

IUPAC1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)(Cc1cccc(Cl)c1Cl)N1CCCC1
InChIInChI=1S/C13H18Cl2N2/c1-13(16,17-7-2-3-8-17)9-10-5-4-6-11(14)12(10)15/h4-6H,2-3,7-9,16H2,1H3
InChIKeyOGAXQZABKPNCFF-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.31
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine

1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine (PubChem CID 84747889) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
PubChem CID84747889
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)(Cc1cccc(Cl)c1Cl)N1CCCC1
InChIInChI=1S/C13H18Cl2N2/c1-13(16,17-7-2-3-8-17)9-10-5-4-6-11(14)12(10)15/h4-6H,2-3,7-9,16H2,1H3
InChIKeyOGAXQZABKPNCFF-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 84752536
1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 107308802
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
3-(2,3-dichlorophenyl)-2-methyl-2-piperazin-1-ylpropanenitrile
CID 84752010
1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
CID 107307745
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
CID 107307759
3-(2-amino-2-pyrrolidin-1-ylpropyl)phenol;hydrochloride
CID 67598749
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine (CID 84747889) is 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine is CC(N)(Cc1cccc(Cl)c1Cl)N1CCCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is OGAXQZABKPNCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-13(16,17-7-2-3-8-17)9-10-5-4-6-11(14)12(10)15/h4-6H,2-3,7-9,16H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine?
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 273.21 g/mol, XLogP of 3.31, 3 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-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 84747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).