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

C17H19BrFNO — CID 79697849

IUPACN-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-4-3-5-17(8-13)21-11-14-6-15(18)9-16(19)7-14/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFZMIKSHZXNBAOU-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.67
Rot. Bonds6

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

N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 79697849) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID79697849
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-4-3-5-17(8-13)21-11-14-6-15(18)9-16(19)7-14/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFZMIKSHZXNBAOU-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

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Related Compounds

N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 79697854
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
N-[[3-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 106861670
(1R)-N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81373751
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine (CID 79697849) is N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OCc2cc(F)cc(Br)c2)c1.
What is the InChIKey of N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is FZMIKSHZXNBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(2)20-10-13-4-3-5-17(8-13)21-11-14-6-15(18)9-16(19)7-14/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]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-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79697849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).