2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

C14H20BrFN2 — CID 81437164

IUPAC2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Br)c(F)c2)CC1C
InChIInChI=1S/C14H20BrFN2/c1-9-7-18(8-10(9)2)14(6-17)11-3-4-12(15)13(16)5-11/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyYDWMGVQVDDIIAH-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 81437164) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID81437164
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Br)c(F)c2)CC1C
InChIInChI=1S/C14H20BrFN2/c1-9-7-18(8-10(9)2)14(6-17)11-3-4-12(15)13(16)5-11/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyYDWMGVQVDDIIAH-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine 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-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
2-(4-Bromophenyl)pyrrolidine
CID 4281494
[2-(4-Bromo-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10470688
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 43221362
(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-4-cyclopropyl-N,N-dimethylpyrrolidin-3-amine
CID 137643872
(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-4-cyclohexyl-N,N-dimethylpyrrolidin-3-amine
CID 137644092
rel-(3R,4S)-1-(2-Bromo-6-fluorobenzyl)-N,N-dimethyl-4-phenylpyrrolidin-3-amine
CID 137646599
(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 137661547
N-[(4-bromophenyl)methyl]-2-methylpropan-1-amine
CID 964811
(4-Bromobenzyl)isopropylamine
CID 12939866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (CID 81437164) is 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is CC1CN(C(CN)c2ccc(Br)c(F)c2)CC1C.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is YDWMGVQVDDIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-7-18(8-10(9)2)14(6-17)11-3-4-12(15)13(16)5-11/h3-5,9-10,14H,6-8,17H2,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 81437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).