2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine

C18H21BrFN — CID 63522301

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1F)Cc1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-21-13-14(11-15-7-3-5-9-17(15)19)12-16-8-4-6-10-18(16)20/h3-10,14,21H,2,11-13H2,1H3
InChIKeyLGXGLBDALPVALG-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.60
Rot. Bonds7

About 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine (PubChem CID 63522301) has the molecular formula C18H21BrFN and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
PubChem CID63522301
Molecular FormulaC18H21BrFN
Molecular Weight350.27 g/mol
Exact Mass349.08
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1F)Cc1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-21-13-14(11-15-7-3-5-9-17(15)19)12-16-8-4-6-10-18(16)20/h3-10,14,21H,2,11-13H2,1H3
InChIKeyLGXGLBDALPVALG-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-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-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine (CID 63522301) is 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine is CCNCC(Cc1ccccc1F)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is LGXGLBDALPVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-2-21-13-14(11-15-7-3-5-9-17(15)19)12-16-8-4-6-10-18(16)20/h3-10,14,21H,2,11-13H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 350.27 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63522301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).