2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol

C13H20BrNO — CID 81411598

IUPAC2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyAOAKUQQBCWNSTQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.66
Rot. Bonds6

About 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol

2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81411598) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81411598
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyAOAKUQQBCWNSTQ-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2-ethyl-2-[(4-nitroanilino)methyl]butan-1-ol
CID 81413516
2-ethyl-2-[(pyrimidin-5-ylamino)methyl]butan-1-ol
CID 107588244
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
2-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]butan-1-ol
CID 81399724
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol (CID 81411598) is 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is AOAKUQQBCWNSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-13(4-2,10-16)9-15-12-7-5-11(14)6-8-12/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol?
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81411598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).