5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol

C12H18BrNO2 — CID 62228230

IUPAC5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
SMILESNCc1cccc(Br)c1OCCCCCO
InChIInChI=1S/C12H18BrNO2/c13-11-6-4-5-10(9-14)12(11)16-8-3-1-2-7-15/h4-6,15H,1-3,7-9,14H2
InChIKeyZCNGUOPRYRJSHM-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.45
Rot. Bonds7

About 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol

5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol (PubChem CID 62228230) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
PubChem CID62228230
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
SMILESNCc1cccc(Br)c1OCCCCCO
InChIInChI=1S/C12H18BrNO2/c13-11-6-4-5-10(9-14)12(11)16-8-3-1-2-7-15/h4-6,15H,1-3,7-9,14H2
InChIKeyZCNGUOPRYRJSHM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

(3-bromo-2-decoxyphenyl)methanamine
CID 63500475
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
6-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702494
[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471527
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol?
The IUPAC name of 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol (CID 62228230) is 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol is NCc1cccc(Br)c1OCCCCCO.
What is the InChIKey of 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol?
The InChIKey is ZCNGUOPRYRJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-11-6-4-5-10(9-14)12(11)16-8-3-1-2-7-15/h4-6,15H,1-3,7-9,14H2.
What are the key properties of 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol?
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol has a molecular weight of 288.18 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol is sourced from PubChem (CID 62228230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).