3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine

C19H18BrN3O — CID 11668110

IUPAC3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C19H18BrN3O/c20-16-8-9-18(24-13-14-5-2-1-3-6-14)15(11-16)12-23-17-7-4-10-22-19(17)21/h1-11,23H,12-13H2,(H2,21,22)
InChIKeyJVNWIFREENTFKM-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.62
Rot. Bonds6

About 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine

3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine (PubChem CID 11668110) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine
PubChem CID11668110
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C19H18BrN3O/c20-16-8-9-18(24-13-14-5-2-1-3-6-14)15(11-16)12-23-17-7-4-10-22-19(17)21/h1-11,23H,12-13H2,(H2,21,22)
InChIKeyJVNWIFREENTFKM-UHFFFAOYSA-N
XLogP4.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine
CID 11517373
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 140977223
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridazin-3-amine;2-methylbutanoic acid
CID 174335620

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine (CID 11668110) is 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine is Nc1ncccc1NCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is JVNWIFREENTFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-16-8-9-18(24-13-14-5-2-1-3-6-14)15(11-16)12-23-17-7-4-10-22-19(17)21/h1-11,23H,12-13H2,(H2,21,22).
What are the key properties of 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine?
3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 384.28 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 11668110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).