(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C16H19BrN2O2 — CID 105027469

IUPAC(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10(2)21-13-6-12(8-19-9-13)16(18)11-4-5-15(20-3)14(17)7-11/h4-10,16H,18H2,1-3H3
InChIKeyBNLJNMFLTGPOFC-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.69
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027469) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027469
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10(2)21-13-6-12(8-19-9-13)16(18)11-4-5-15(20-3)14(17)7-11/h4-10,16H,18H2,1-3H3
InChIKeyBNLJNMFLTGPOFC-UHFFFAOYSA-N
XLogP3.69
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
[(3-bromo-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329820
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(5-bromo-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474213
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027469) is (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is COc1ccc(C(N)c2cncc(OC(C)C)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is BNLJNMFLTGPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(2)21-13-6-12(8-19-9-13)16(18)11-4-5-15(20-3)14(17)7-11/h4-10,16H,18H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 351.24 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).