1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol

C12H19BrN2O2 — CID 113250573

IUPAC1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O2/c1-9(2)7-17-8-12(16)6-15-11-3-10(13)4-14-5-11/h3-5,9,12,15-16H,6-8H2,1-2H3
InChIKeyAYZUCVHFAPFTIM-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.29
Rot. Bonds7

About 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol

1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 113250573) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID113250573
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O2/c1-9(2)7-17-8-12(16)6-15-11-3-10(13)4-14-5-11/h3-5,9,12,15-16H,6-8H2,1-2H3
InChIKeyAYZUCVHFAPFTIM-UHFFFAOYSA-N
XLogP2.29
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-[(5-bromo-3-pyridinyl)oxy]-3-(tert-butylamino)propan-2-ol
CID 115476145
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 113250573) is 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is AYZUCVHFAPFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-9(2)7-17-8-12(16)6-15-11-3-10(13)4-14-5-11/h3-5,9,12,15-16H,6-8H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol?
1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 113250573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).