1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine

C15H22BrFN2 — CID 43764811

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCN1CCCC1CNC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-4-5-13(19)10-18-11(2)12-6-7-15(17)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyKMVVLKCBZQTBOT-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine

1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 43764811) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID43764811
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCN1CCCC1CNC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H22BrFN2/c1-3-19-8-4-5-13(19)10-18-11(2)12-6-7-15(17)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyKMVVLKCBZQTBOT-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]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

1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260519
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100978
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
1-(3-bromo-4-fluorophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600440
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
1-(3-bromo-4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013264
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831319
1-(3-bromophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propan-1-amine
CID 43764793
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 114909627
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine (CID 43764811) is 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine is CCN1CCCC1CNC(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is KMVVLKCBZQTBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-3-19-8-4-5-13(19)10-18-11(2)12-6-7-15(17)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine?
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 43764811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).