1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

C15H21BrClFN2 — CID 106762696

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1ccc(Br)c(Cl)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21BrClFN2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)12(17)13(10)18/h6-7,14,19H,4-5,8-9H2,1-3H3
InChIKeyJIYXRLMTCNEOQW-UHFFFAOYSA-N
MW363.70 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine

1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 106762696) has the molecular formula C15H21BrClFN2 and a molecular weight of 363.70 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID106762696
Molecular FormulaC15H21BrClFN2
Molecular Weight363.70 g/mol
Exact Mass362.06
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(c1ccc(Br)c(Cl)c1F)C(C)(C)N1CCCC1
InChIInChI=1S/C15H21BrClFN2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)12(17)13(10)18/h6-7,14,19H,4-5,8-9H2,1-3H3
InChIKeyJIYXRLMTCNEOQW-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.70
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078
1-(4-bromo-3-chloro-2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 106762511
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 106765598
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
CID 79052644
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine (CID 106762696) is 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is CNC(c1ccc(Br)c(Cl)c1F)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is JIYXRLMTCNEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClFN2/c1-15(2,20-8-4-5-9-20)14(19-3)10-6-7-11(16)12(17)13(10)18/h6-7,14,19H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 363.70 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 106762696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).