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

C17H19BrFNO — CID 62484259

IUPACN-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-7-15(18)9-16(17)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyUMEFULXXWWXIJO-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.67
Rot. Bonds6

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

N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62484259) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
PubChem CID62484259
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1COc1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-7-15(18)9-16(17)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyUMEFULXXWWXIJO-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-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291425
(1S)-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761545
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66527653

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine (CID 62484259) is N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1COc1ccc(Br)cc1F.
What is the InChIKey of N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is UMEFULXXWWXIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(2)20-10-13-5-3-4-6-14(13)11-21-17-8-7-15(18)9-16(17)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine?
N-[[2-[(4-bromo-2-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-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62484259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).