4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine

C16H22ClFN2 — CID 129059432

IUPAC4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine
SMILESC=CC(C)(C)CC1NCC(c2cccc(Cl)c2F)C1N
InChIInChI=1S/C16H22ClFN2/c1-4-16(2,3)8-13-15(19)11(9-20-13)10-6-5-7-12(17)14(10)18/h4-7,11,13,15,20H,1,8-9,19H2,2-3H3
InChIKeyVUKGMKZKJFORLC-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.46
Rot. Bonds4

About 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine

4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine (PubChem CID 129059432) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine
PubChem CID129059432
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine
SMILESC=CC(C)(C)CC1NCC(c2cccc(Cl)c2F)C1N
InChIInChI=1S/C16H22ClFN2/c1-4-16(2,3)8-13-15(19)11(9-20-13)10-6-5-7-12(17)14(10)18/h4-7,11,13,15,20H,1,8-9,19H2,2-3H3
InChIKeyVUKGMKZKJFORLC-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-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

2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 129059415
3-[4-(3-chloro-2-fluorophenyl)-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 129059515
2-(4-amino-2,2-dimethylbutyl)-4-(3-chloro-2-fluorophenyl)pyrrolidine-3-carbonitrile
CID 129059464
4-(3-chloro-2-fluorophenyl)-2-(2-ethyl-2-methylbutyl)pyrrolidine-3-carbonitrile
CID 129059689
4-(3-chloro-2-fluorophenyl)-2-(2-methyl-2-phenylpropyl)pyrrolidine-3-carbonitrile
CID 129059448
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide
CID 145021337
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
CID 114488647
4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-3-methylpyrrolidine-3-carbonitrile
CID 129059735
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114488651
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
CID 144941855

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine (CID 129059432) is 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine is C=CC(C)(C)CC1NCC(c2cccc(Cl)c2F)C1N.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine?
The InChIKey is VUKGMKZKJFORLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-4-16(2,3)8-13-15(19)11(9-20-13)10-6-5-7-12(17)14(10)18/h4-7,11,13,15,20H,1,8-9,19H2,2-3H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine?
4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine has a molecular weight of 296.82 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine is sourced from PubChem (CID 129059432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).