1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine

C17H26Cl2N2 — CID 107308802

IUPAC1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(N)Cc1cccc(Cl)c1Cl)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-3-17(4-2,21-10-5-6-11-21)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,3-6,10-12,20H2,1-2H3
InChIKeyLLUXFMFUSCFCJJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.52
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine

1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 107308802) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID107308802
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(CC)(C(N)Cc1cccc(Cl)c1Cl)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-3-17(4-2,21-10-5-6-11-21)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,3-6,10-12,20H2,1-2H3
InChIKeyLLUXFMFUSCFCJJ-UHFFFAOYSA-N
XLogP4.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79060740
1-(2-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057104
1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 115983601
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
1-(3-chloro-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 102857722
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
3-ethyl-6-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79068216
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine (CID 107308802) is 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine is CCC(CC)(C(N)Cc1cccc(Cl)c1Cl)N1CCCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is LLUXFMFUSCFCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-3-17(4-2,21-10-5-6-11-21)15(20)12-13-8-7-9-14(18)16(13)19/h7-9,15H,3-6,10-12,20H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 329.31 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 107308802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).