1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine

C15H16BrClN2O — CID 114863283

IUPAC1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-2-13(18)6-10-5-12(17)3-4-15(10)20-14-7-11(16)8-19-9-14/h3-5,7-9,13H,2,6,18H2,1H3
InChIKeyITIDPXBTTZQTNX-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.57
Rot. Bonds5

About 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine

1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine (PubChem CID 114863283) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
PubChem CID114863283
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-2-13(18)6-10-5-12(17)3-4-15(10)20-14-7-11(16)8-19-9-14/h3-5,7-9,13H,2,6,18H2,1H3
InChIKeyITIDPXBTTZQTNX-UHFFFAOYSA-N
XLogP4.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.57
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-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
CID 115469300
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
CID 114857412
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 63421165

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine (CID 114863283) is 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1Oc1cncc(Br)c1.
What is the InChIKey of 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine?
The InChIKey is ITIDPXBTTZQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-2-13(18)6-10-5-12(17)3-4-15(10)20-14-7-11(16)8-19-9-14/h3-5,7-9,13H,2,6,18H2,1H3.
What are the key properties of 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine?
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine is sourced from PubChem (CID 114863283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).