6-(3-bromo-5-methoxyanilino)hexan-1-ol

C13H20BrNO2 — CID 113343359

IUPAC6-(3-bromo-5-methoxyanilino)hexan-1-ol
SMILESCOc1cc(Br)cc(NCCCCCCO)c1
InChIInChI=1S/C13H20BrNO2/c1-17-13-9-11(14)8-12(10-13)15-6-4-2-3-5-7-16/h8-10,15-16H,2-7H2,1H3
InChIKeyGSRHCKSRXZAMJM-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.42
Rot. Bonds8

About 6-(3-bromo-5-methoxyanilino)hexan-1-ol

6-(3-bromo-5-methoxyanilino)hexan-1-ol (PubChem CID 113343359) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 6-(3-bromo-5-methoxyanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-bromo-5-methoxyanilino)hexan-1-ol
PubChem CID113343359
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name6-(3-bromo-5-methoxyanilino)hexan-1-ol
SMILESCOc1cc(Br)cc(NCCCCCCO)c1
InChIInChI=1S/C13H20BrNO2/c1-17-13-9-11(14)8-12(10-13)15-6-4-2-3-5-7-16/h8-10,15-16H,2-7H2,1H3
InChIKeyGSRHCKSRXZAMJM-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
5-(3-bromo-5-methoxyanilino)-N'-hydroxypentanimidamide
CID 82867428
3-bromo-5-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 82867863
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
3,5-dimethoxy-N-pentylaniline
CID 28575532
3-bromo-5-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 116615714
5-(3-bromoanilino)pentan-1-ol
CID 62227140
3-[4-[(3-bromo-5-methoxyanilino)methyl]triazol-1-yl]propan-1-ol
CID 82857842
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
3-bromo-5-methoxy-N-[3-(oxolan-2-yl)propyl]aniline
CID 82867375

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-methoxyanilino)hexan-1-ol?
The IUPAC name of 6-(3-bromo-5-methoxyanilino)hexan-1-ol (CID 113343359) is 6-(3-bromo-5-methoxyanilino)hexan-1-ol.
What is the SMILES notation for 6-(3-bromo-5-methoxyanilino)hexan-1-ol?
The canonical SMILES for 6-(3-bromo-5-methoxyanilino)hexan-1-ol is COc1cc(Br)cc(NCCCCCCO)c1.
What is the InChIKey of 6-(3-bromo-5-methoxyanilino)hexan-1-ol?
The InChIKey is GSRHCKSRXZAMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-17-13-9-11(14)8-12(10-13)15-6-4-2-3-5-7-16/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 6-(3-bromo-5-methoxyanilino)hexan-1-ol?
6-(3-bromo-5-methoxyanilino)hexan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-methoxyanilino)hexan-1-ol is sourced from PubChem (CID 113343359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).