1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine

C16H18BrFN2O — CID 107693394

IUPAC1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C16H18BrFN2O/c1-2-14(19)6-11-3-4-16(15(18)7-11)21-10-12-5-13(17)9-20-8-12/h3-5,7-9,14H,2,6,10,19H2,1H3
InChIKeyFVWRUVGBMJTIIF-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine

1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine (PubChem CID 107693394) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
PubChem CID107693394
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C16H18BrFN2O/c1-2-14(19)6-11-3-4-16(15(18)7-11)21-10-12-5-13(17)9-20-8-12/h3-5,7-9,14H,2,6,10,19H2,1H3
InChIKeyFVWRUVGBMJTIIF-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]butan-2-amine
CID 104807746
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687153
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]butan-2-amine
CID 63421771
1-[4-[(E)-but-2-enoxy]-3-fluorophenyl]butan-2-amine
CID 107693440
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine (CID 107693394) is 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2cncc(Br)c2)c(F)c1.
What is the InChIKey of 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine?
The InChIKey is FVWRUVGBMJTIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-2-14(19)6-11-3-4-16(15(18)7-11)21-10-12-5-13(17)9-20-8-12/h3-5,7-9,14H,2,6,10,19H2,1H3.
What are the key properties of 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine?
1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107693394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).