N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine

C17H19BrFNO — CID 107687726

IUPACN-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-7-8-17(16(19)9-13)21-11-14-5-3-4-6-15(14)18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXZWOTQCCNBVLGM-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.67
Rot. Bonds6

About N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine

N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine (PubChem CID 107687726) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
PubChem CID107687726
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccccc2Br)c(F)c1
InChIInChI=1S/C17H19BrFNO/c1-12(2)20-10-13-7-8-17(16(19)9-13)21-11-14-5-3-4-6-15(14)18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyXZWOTQCCNBVLGM-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-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687443
3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107687781
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[[3-bromo-4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102773044
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944
N-[(4-but-2-ynoxy-3-fluorophenyl)methyl]propan-2-amine
CID 107687869

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine (CID 107687726) is N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2ccccc2Br)c(F)c1.
What is the InChIKey of N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The InChIKey is XZWOTQCCNBVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(2)20-10-13-7-8-17(16(19)9-13)21-11-14-5-3-4-6-15(14)18/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]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-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 107687726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).