5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol

C14H22BrNO2 — CID 106160128

IUPAC5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-12(11-17)3-2-8-16-9-10-18-14-6-4-13(15)5-7-14/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeySEKBXDWHSMYXQG-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.83
Rot. Bonds9

About 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol

5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol (PubChem CID 106160128) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
PubChem CID106160128
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCOc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-12(11-17)3-2-8-16-9-10-18-14-6-4-13(15)5-7-14/h4-7,12,16-17H,2-3,8-11H2,1H3
InChIKeySEKBXDWHSMYXQG-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.83
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

N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
5-bromo-N-[2-(4-bromophenoxy)ethyl]pentan-1-amine
CID 107320366
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572745
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
4-(4-bromophenoxy)butan-2-ol
CID 112686550
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol (CID 106160128) is 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol is CC(CO)CCCNCCOc1ccc(Br)cc1.
What is the InChIKey of 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol?
The InChIKey is SEKBXDWHSMYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-12(11-17)3-2-8-16-9-10-18-14-6-4-13(15)5-7-14/h4-7,12,16-17H,2-3,8-11H2,1H3.
What are the key properties of 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol?
5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol has a molecular weight of 316.24 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).