N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine

C14H16BrN3 — CID 79712553

IUPACN-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc(CN)cc1
InChIInChI=1S/C14H16BrN3/c1-10-7-12(15)9-17-14(10)18(2)13-5-3-11(8-16)4-6-13/h3-7,9H,8,16H2,1-2H3
InChIKeyGVZNIMFSGLCOER-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.38
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine

N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine (PubChem CID 79712553) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
PubChem CID79712553
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)c1ccc(CN)cc1
InChIInChI=1S/C14H16BrN3/c1-10-7-12(15)9-17-14(10)18(2)13-5-3-11(8-16)4-6-13/h3-7,9H,8,16H2,1-2H3
InChIKeyGVZNIMFSGLCOER-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine (CID 79712553) is N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine is Cc1cc(Br)cnc1N(C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine?
The InChIKey is GVZNIMFSGLCOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-7-12(15)9-17-14(10)18(2)13-5-3-11(8-16)4-6-13/h3-7,9H,8,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine?
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 79712553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).