(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine

C15H16Br2N2 — CID 116545102

IUPAC(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ncc(Br)cc2Br)c1
InChIInChI=1S/C15H16Br2N2/c1-2-4-10-5-3-6-11(7-10)14(18)15-13(17)8-12(16)9-19-15/h3,5-9,14H,2,4,18H2,1H3
InChIKeyANJPQXPLRYBFEK-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.61
Rot. Bonds4

About (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine

(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine (PubChem CID 116545102) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
PubChem CID116545102
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ncc(Br)cc2Br)c1
InChIInChI=1S/C15H16Br2N2/c1-2-4-10-5-3-6-11(7-10)14(18)15-13(17)8-12(16)9-19-15/h3,5-9,14H,2,4,18H2,1H3
InChIKeyANJPQXPLRYBFEK-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
1-(3-propylphenyl)ethanamine
CID 116543909
(2-methylpyrimidin-4-yl)-(3-propylphenyl)methanamine
CID 116544988
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine (CID 116545102) is (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2ncc(Br)cc2Br)c1.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine?
The InChIKey is ANJPQXPLRYBFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-2-4-10-5-3-6-11(7-10)14(18)15-13(17)8-12(16)9-19-15/h3,5-9,14H,2,4,18H2,1H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine?
(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine has a molecular weight of 384.12 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 116545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).