5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine

C18H15BrN2O — CID 130566029

IUPAC5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
SMILESBrc1ccc(Nc2cccc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C18H15BrN2O/c19-15-9-10-18(20-12-15)21-16-7-4-8-17(11-16)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21)
InChIKeyBIRCKGHHKWZODB-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.17
Rot. Bonds5

About 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine

5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine (PubChem CID 130566029) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
PubChem CID130566029
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
SMILESBrc1ccc(Nc2cccc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C18H15BrN2O/c19-15-9-10-18(20-12-15)21-16-7-4-8-17(11-16)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21)
InChIKeyBIRCKGHHKWZODB-UHFFFAOYSA-N
XLogP5.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
5-(4-fluorophenoxy)-N-[3-(phenoxymethyl)phenyl]pyridin-2-amine
CID 59588925
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
N-benzyl-3-phenylmethoxyaniline
CID 54801332
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90989523
3-[(5-bromo-2-pyridinyl)amino]benzonitrile
CID 61375083
1-N-(5-bromo-2-pyridinyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115379125
5-bromo-N-(6-bromonaphthalen-2-yl)pyridin-2-amine
CID 81260199
N-(3-phenylmethoxyphenyl)formamide
CID 87791021

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine (CID 130566029) is 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine is Brc1ccc(Nc2cccc(OCc3ccccc3)c2)nc1.
What is the InChIKey of 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The InChIKey is BIRCKGHHKWZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c19-15-9-10-18(20-12-15)21-16-7-4-8-17(11-16)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21).
What are the key properties of 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine has a molecular weight of 355.24 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 130566029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).