N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

C18H19BrFN — CID 105052687

IUPACN-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H19BrFN/c1-2-21-18(13-8-9-16(19)17(20)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3
InChIKeyFNQBXTVXVKMOFJ-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.04
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 105052687) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID105052687
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H19BrFN/c1-2-21-18(13-8-9-16(19)17(20)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3
InChIKeyFNQBXTVXVKMOFJ-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)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

N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
[(4-bromo-3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341455
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
2-(4-bromophenyl)-N-ethyl-2-(2-phenylcyclopropyl)ethanamine
CID 116518136
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 105052687) is N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(Br)c(F)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is FNQBXTVXVKMOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-2-21-18(13-8-9-16(19)17(20)10-13)15-11-14(15)12-6-4-3-5-7-12/h3-10,14-15,18,21H,2,11H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 348.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105052687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).