N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

C17H19BrFNO — CID 63452448

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(18)5-8-17(14)19/h3-9,13,20H,10-11H2,1-2H3
InChIKeyBGMOWLCHEGMMNI-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.45
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (PubChem CID 63452448) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
PubChem CID63452448
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(18)5-8-17(14)19/h3-9,13,20H,10-11H2,1-2H3
InChIKeyBGMOWLCHEGMMNI-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-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

N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 102615548
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
2-fluoro-4-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]phenol
CID 107685692
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]benzene-1,2-diol
CID 61319932
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine (CID 63452448) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OCC(C)NCc2cc(Br)ccc2F)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is BGMOWLCHEGMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12-3-6-16(7-4-12)21-11-13(2)20-10-14-9-15(18)5-8-17(14)19/h3-9,13,20H,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 63452448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).