5-(2,6-dibromo-4-methylanilino)pentan-1-ol

C12H17Br2NO — CID 62226962

IUPAC5-(2,6-dibromo-4-methylanilino)pentan-1-ol
SMILESCc1cc(Br)c(NCCCCCO)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-16/h7-8,15-16H,2-6H2,1H3
InChIKeyQVVNJLNCEKUTHP-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.09
Rot. Bonds6

About 5-(2,6-dibromo-4-methylanilino)pentan-1-ol

5-(2,6-dibromo-4-methylanilino)pentan-1-ol (PubChem CID 62226962) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 5-(2,6-dibromo-4-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,6-dibromo-4-methylanilino)pentan-1-ol
PubChem CID62226962
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name5-(2,6-dibromo-4-methylanilino)pentan-1-ol
SMILESCc1cc(Br)c(NCCCCCO)c(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-16/h7-8,15-16H,2-6H2,1H3
InChIKeyQVVNJLNCEKUTHP-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087335
4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028778
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2,6-dibromo-N-but-3-ynyl-4-methylaniline
CID 63655061
5-(4-bromoanilino)pentan-1-ol
CID 62227139
2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
CID 63421879
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
5-(2,3,5,6-tetrafluoroanilino)pentan-1-ol
CID 107644364
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
methyl 3-bromo-5-methyl-2-[4-(4-methylphenoxy)butylamino]benzoate
CID 18802854

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dibromo-4-methylanilino)pentan-1-ol?
The IUPAC name of 5-(2,6-dibromo-4-methylanilino)pentan-1-ol (CID 62226962) is 5-(2,6-dibromo-4-methylanilino)pentan-1-ol.
What is the SMILES notation for 5-(2,6-dibromo-4-methylanilino)pentan-1-ol?
The canonical SMILES for 5-(2,6-dibromo-4-methylanilino)pentan-1-ol is Cc1cc(Br)c(NCCCCCO)c(Br)c1.
What is the InChIKey of 5-(2,6-dibromo-4-methylanilino)pentan-1-ol?
The InChIKey is QVVNJLNCEKUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-9-7-10(13)12(11(14)8-9)15-5-3-2-4-6-16/h7-8,15-16H,2-6H2,1H3.
What are the key properties of 5-(2,6-dibromo-4-methylanilino)pentan-1-ol?
5-(2,6-dibromo-4-methylanilino)pentan-1-ol has a molecular weight of 351.08 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dibromo-4-methylanilino)pentan-1-ol is sourced from PubChem (CID 62226962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).