3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine

C16H20BrN3O — CID 106950927

IUPAC3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1ccc(OC)c(Br)c1)c1cnccc1N
InChIInChI=1S/C16H20BrN3O/c1-3-7-20-16(12-10-19-8-6-14(12)18)11-4-5-15(21-2)13(17)9-11/h4-6,8-10,16,20H,3,7H2,1-2H3,(H2,18,19)
InChIKeySZGIHOLIQXOZPD-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.52
Rot. Bonds6

About 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine

3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine (PubChem CID 106950927) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
PubChem CID106950927
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1ccc(OC)c(Br)c1)c1cnccc1N
InChIInChI=1S/C16H20BrN3O/c1-3-7-20-16(12-10-19-8-6-14(12)18)11-4-5-15(21-2)13(17)9-11/h4-6,8-10,16,20H,3,7H2,1-2H3,(H2,18,19)
InChIKeySZGIHOLIQXOZPD-UHFFFAOYSA-N
XLogP3.52
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105053991
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-bromo-4-methoxyphenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 43493838
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine (CID 106950927) is 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine is CCCNC(c1ccc(OC)c(Br)c1)c1cnccc1N.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine?
The InChIKey is SZGIHOLIQXOZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-7-20-16(12-10-19-8-6-14(12)18)11-4-5-15(21-2)13(17)9-11/h4-6,8-10,16,20H,3,7H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine?
3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 106950927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).