N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine

C14H16BrN3O — CID 105367304

IUPACN-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cccc(OCCN)c2)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-10-7-13(15)14(17-9-10)18-11-3-2-4-12(8-11)19-6-5-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18)
InChIKeyGTRWLXVSBXGDIB-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine

N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine (PubChem CID 105367304) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
PubChem CID105367304
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cccc(OCCN)c2)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-10-7-13(15)14(17-9-10)18-11-3-2-4-12(8-11)19-6-5-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18)
InChIKeyGTRWLXVSBXGDIB-UHFFFAOYSA-N
XLogP3.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine (CID 105367304) is N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine is Cc1cnc(Nc2cccc(OCCN)c2)c(Br)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine?
The InChIKey is GTRWLXVSBXGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10-7-13(15)14(17-9-10)18-11-3-2-4-12(8-11)19-6-5-16/h2-4,7-9H,5-6,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine?
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine is sourced from PubChem (CID 105367304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).