3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine

C14H16BrN3O — CID 106950903

IUPAC3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(N)Cc2cccnc2N)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-19-13-5-4-9(7-11(13)15)12(16)8-10-3-2-6-18-14(10)17/h2-7,12H,8,16H2,1H3,(H2,17,18)
InChIKeyZKGYHCRRLUSDAH-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.68
Rot. Bonds4

About 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine

3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 106950903) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
PubChem CID106950903
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(C(N)Cc2cccnc2N)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-19-13-5-4-9(7-11(13)15)12(16)8-10-3-2-6-18-14(10)17/h2-7,12H,8,16H2,1H3,(H2,17,18)
InChIKeyZKGYHCRRLUSDAH-UHFFFAOYSA-N
XLogP2.68
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619
1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015145
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 115844636
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine (CID 106950903) is 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine is COc1ccc(C(N)Cc2cccnc2N)cc1Br.
What is the InChIKey of 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is ZKGYHCRRLUSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-19-13-5-4-9(7-11(13)15)12(16)8-10-3-2-6-18-14(10)17/h2-7,12H,8,16H2,1H3,(H2,17,18).
What are the key properties of 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine?
3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106950903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).