1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine

C16H19BrN2O — CID 80640067

IUPAC1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H19BrN2O/c1-3-14(18)9-12-4-7-16(19-10-12)20-15-6-5-13(17)8-11(15)2/h4-8,10,14H,3,9,18H2,1-2H3
InChIKeySVLWQZKTDTTXNF-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.22
Rot. Bonds5

About 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine

1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80640067) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80640067
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H19BrN2O/c1-3-14(18)9-12-4-7-16(19-10-12)20-15-6-5-13(17)8-11(15)2/h4-8,10,14H,3,9,18H2,1-2H3
InChIKeySVLWQZKTDTTXNF-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80627302
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80627504
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
1-[3-(2,4-dibromophenoxy)-4-methylphenyl]butan-2-amine
CID 105411268

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine (CID 80640067) is 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Br)cc2C)nc1.
What is the InChIKey of 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is SVLWQZKTDTTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-14(18)9-12-4-7-16(19-10-12)20-15-6-5-13(17)8-11(15)2/h4-8,10,14H,3,9,18H2,1-2H3.
What are the key properties of 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).