1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine

C14H11BrCl2FN — CID 55193888

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
SMILESFc1ccc(Br)cc1CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-10-4-5-14(18)9(6-10)7-19-8-11-12(16)2-1-3-13(11)17/h1-6,19H,7-8H2
InChIKeyVMGWOVHAAOYPNS-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.18
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine

1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine (PubChem CID 55193888) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
PubChem CID55193888
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
SMILESFc1ccc(Br)cc1CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11BrCl2FN/c15-10-4-5-14(18)9(6-10)7-19-8-11-12(16)2-1-3-13(11)17/h1-6,19H,7-8H2
InChIKeyVMGWOVHAAOYPNS-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine 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-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
CID 78960259
1-(5-bromo-2-fluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63453864
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 63794809
1-(5-bromo-2-fluorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61068725
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine (CID 55193888) is 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine is Fc1ccc(Br)cc1CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine?
The InChIKey is VMGWOVHAAOYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c15-10-4-5-14(18)9(6-10)7-19-8-11-12(16)2-1-3-13(11)17/h1-6,19H,7-8H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine?
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine has a molecular weight of 363.06 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 55193888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).