N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine

C17H19BrFNO — CID 105406547

IUPACN-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-11(2)20-10-13-5-4-12(3)17(8-13)21-16-7-6-14(19)9-15(16)18/h4-9,11,20H,10H2,1-3H3
InChIKeyAZNCJAOWWCGDRG-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.19
Rot. Bonds5

About N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105406547) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105406547
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-11(2)20-10-13-5-4-12(3)17(8-13)21-16-7-6-14(19)9-15(16)18/h4-9,11,20H,10H2,1-3H3
InChIKeyAZNCJAOWWCGDRG-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
CID 105407428
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408904
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine (CID 105406547) is N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is AZNCJAOWWCGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(2)20-10-13-5-4-12(3)17(8-13)21-16-7-6-14(19)9-15(16)18/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).