6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol

C16H26BrNO2 — CID 107702343

IUPAC6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
SMILESCCCNCc1cc(Br)ccc1OCCCCCCO
InChIInChI=1S/C16H26BrNO2/c1-2-9-18-13-14-12-15(17)7-8-16(14)20-11-6-4-3-5-10-19/h7-8,12,18-19H,2-6,9-11,13H2,1H3
InChIKeyRDTBJFLYDMESLC-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.88
Rot. Bonds11

About 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol

6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol (PubChem CID 107702343) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
PubChem CID107702343
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
SMILESCCCNCc1cc(Br)ccc1OCCCCCCO
InChIInChI=1S/C16H26BrNO2/c1-2-9-18-13-14-12-15(17)7-8-16(14)20-11-6-4-3-5-10-19/h7-8,12,18-19H,2-6,9-11,13H2,1H3
InChIKeyRDTBJFLYDMESLC-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.88
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-[4-bromo-2-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62228969
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
CID 39317876
6-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]hexan-1-ol
CID 103924218
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetonitrile
CID 60883116

Frequently Asked Questions

What is the IUPAC name of 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol (CID 107702343) is 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol is CCCNCc1cc(Br)ccc1OCCCCCCO.
What is the InChIKey of 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol?
The InChIKey is RDTBJFLYDMESLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-2-9-18-13-14-12-15(17)7-8-16(14)20-11-6-4-3-5-10-19/h7-8,12,18-19H,2-6,9-11,13H2,1H3.
What are the key properties of 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol?
6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol has a molecular weight of 344.29 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107702343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).