2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

C12H19BrN2O — CID 103844350

IUPAC2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-3-12(4-2,9-16)8-15-11-6-5-10(13)7-14-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyWVVBWMQTSITZND-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.05
Rot. Bonds6

About 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 103844350) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID103844350
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-3-12(4-2,9-16)8-15-11-6-5-10(13)7-14-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyWVVBWMQTSITZND-UHFFFAOYSA-N
XLogP3.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
CID 106254988
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165583
2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
CID 131735909
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (CID 103844350) is 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ccc(Br)cn1.
What is the InChIKey of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is WVVBWMQTSITZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-3-12(4-2,9-16)8-15-11-6-5-10(13)7-14-11/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).