1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H26BrNO2 — CID 107583341

IUPAC1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1cc(Br)cc(NCC(O)COC(C)CC(C)C)c1
InChIInChI=1S/C16H26BrNO2/c1-11(2)5-13(4)20-10-16(19)9-18-15-7-12(3)6-14(17)8-15/h6-8,11,13,16,18-19H,5,9-10H2,1-4H3
InChIKeyXJROSORRUIPSDZ-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.98
Rot. Bonds8

About 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 107583341) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID107583341
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCc1cc(Br)cc(NCC(O)COC(C)CC(C)C)c1
InChIInChI=1S/C16H26BrNO2/c1-11(2)5-13(4)20-10-16(19)9-18-15-7-12(3)6-14(17)8-15/h6-8,11,13,16,18-19H,5,9-10H2,1-4H3
InChIKeyXJROSORRUIPSDZ-UHFFFAOYSA-N
XLogP3.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60897310
1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
3-bromo-N-(3-methoxy-2-methylpropyl)-5-methylaniline
CID 102673341
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]benzonitrile
CID 60901635
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 107583341) is 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is Cc1cc(Br)cc(NCC(O)COC(C)CC(C)C)c1.
What is the InChIKey of 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is XJROSORRUIPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-11(2)5-13(4)20-10-16(19)9-18-15-7-12(3)6-14(17)8-15/h6-8,11,13,16,18-19H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 344.29 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 107583341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).