N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine

C17H19BrFNO — CID 81314653

IUPACN-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-15(18)7-16(19)9-17/h3-9,12,20H,10-11H2,1-2H3
InChIKeyQOPUGNSCJYNGCF-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.67
Rot. Bonds6

About N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine

N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine (PubChem CID 81314653) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
PubChem CID81314653
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-15(18)7-16(19)9-17/h3-9,12,20H,10-11H2,1-2H3
InChIKeyQOPUGNSCJYNGCF-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]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

1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619
N-[[2-(3-bromo-5-fluorophenoxy)-4-chlorophenyl]methyl]propan-2-amine
CID 114857583
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine (CID 81314653) is N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1COc1cc(F)cc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is QOPUGNSCJYNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-15(18)7-16(19)9-17/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 81314653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).