6-(3-amino-2-bromophenoxy)hexan-1-ol

C12H18BrNO2 — CID 107702028

IUPAC6-(3-amino-2-bromophenoxy)hexan-1-ol
SMILESNc1cccc(OCCCCCCO)c1Br
InChIInChI=1S/C12H18BrNO2/c13-12-10(14)6-5-7-11(12)16-9-4-2-1-3-8-15/h5-7,15H,1-4,8-9,14H2
InChIKeyQRJPTFDCOHLIDC-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.96
Rot. Bonds7

About 6-(3-amino-2-bromophenoxy)hexan-1-ol

6-(3-amino-2-bromophenoxy)hexan-1-ol (PubChem CID 107702028) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 6-(3-amino-2-bromophenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(3-amino-2-bromophenoxy)hexan-1-ol
PubChem CID107702028
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name6-(3-amino-2-bromophenoxy)hexan-1-ol
SMILESNc1cccc(OCCCCCCO)c1Br
InChIInChI=1S/C12H18BrNO2/c13-12-10(14)6-5-7-11(12)16-9-4-2-1-3-8-15/h5-7,15H,1-4,8-9,14H2
InChIKeyQRJPTFDCOHLIDC-UHFFFAOYSA-N
XLogP2.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-bromophenoxy)hexan-1-ol?
The IUPAC name of 6-(3-amino-2-bromophenoxy)hexan-1-ol (CID 107702028) is 6-(3-amino-2-bromophenoxy)hexan-1-ol.
What is the SMILES notation for 6-(3-amino-2-bromophenoxy)hexan-1-ol?
The canonical SMILES for 6-(3-amino-2-bromophenoxy)hexan-1-ol is Nc1cccc(OCCCCCCO)c1Br.
What is the InChIKey of 6-(3-amino-2-bromophenoxy)hexan-1-ol?
The InChIKey is QRJPTFDCOHLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-12-10(14)6-5-7-11(12)16-9-4-2-1-3-8-15/h5-7,15H,1-4,8-9,14H2.
What are the key properties of 6-(3-amino-2-bromophenoxy)hexan-1-ol?
6-(3-amino-2-bromophenoxy)hexan-1-ol has a molecular weight of 288.18 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-bromophenoxy)hexan-1-ol is sourced from PubChem (CID 107702028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).