3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine

C15H18BrN3 — CID 114330472

IUPAC3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1cccnc1N
InChIInChI=1S/C15H18BrN3/c1-9-7-11(8-10(2)13(9)16)14(18-3)12-5-4-6-19-15(12)17/h4-8,14,18H,1-3H3,(H2,17,19)
InChIKeyBZQHMCPZXMVRJS-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.35
Rot. Bonds3

About 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine

3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine (PubChem CID 114330472) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine
PubChem CID114330472
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1cccnc1N
InChIInChI=1S/C15H18BrN3/c1-9-7-11(8-10(2)13(9)16)14(18-3)12-5-4-6-19-15(12)17/h4-8,14,18H,1-3H3,(H2,17,19)
InChIKeyBZQHMCPZXMVRJS-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
3-[(3,5-dichlorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 107918402
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
CID 105402842
3-[(2-fluoro-4-methoxyphenyl)-(methylamino)methyl]pyridin-2-amine
CID 81304169
3-[(5-bromo-3-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105251142
3-[(4-bromo-3,5-dimethylphenyl)-(ethylamino)methyl]-5-methylpyridin-2-amine
CID 114330580
3-[(3-bromo-2-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105268078
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
[(4-bromo-3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105279392

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine (CID 114330472) is 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine is CNC(c1cc(C)c(Br)c(C)c1)c1cccnc1N.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine?
The InChIKey is BZQHMCPZXMVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-9-7-11(8-10(2)13(9)16)14(18-3)12-5-4-6-19-15(12)17/h4-8,14,18H,1-3H3,(H2,17,19).
What are the key properties of 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine?
3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3,5-dimethylphenyl)-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114330472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).