2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol

C14H15BrN2O — CID 105366704

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
SMILESCc1cnc(NCC(O)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10-7-12(15)14(16-8-10)17-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,16,17)
InChIKeyURDMDDFRRSXMHA-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.30
Rot. Bonds4

About 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol (PubChem CID 105366704) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
PubChem CID105366704
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
SMILESCc1cnc(NCC(O)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10-7-12(15)14(16-8-10)17-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,16,17)
InChIKeyURDMDDFRRSXMHA-UHFFFAOYSA-N
XLogP3.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 97326609
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-1-(3-methylphenyl)ethanol
CID 133375916
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol (CID 105366704) is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol is Cc1cnc(NCC(O)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol?
The InChIKey is URDMDDFRRSXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-7-12(15)14(16-8-10)17-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol?
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol has a molecular weight of 307.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol is sourced from PubChem (CID 105366704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).