5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine

C14H22BrNO — CID 55161142

IUPAC5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(Br)cc1C
InChIInChI=1S/C14H22BrNO/c1-3-16-9-5-4-6-10-17-14-8-7-13(15)11-12(14)2/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeySFUGJRMJACBENI-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.92
Rot. Bonds8

About 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine

5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine (PubChem CID 55161142) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
PubChem CID55161142
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(Br)cc1C
InChIInChI=1S/C14H22BrNO/c1-3-16-9-5-4-6-10-17-14-8-7-13(15)11-12(14)2/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeySFUGJRMJACBENI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-methylphenoxy)-N-prop-2-enylbutan-1-amine
CID 2298377
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941
2-[4-(4-bromo-2-methylphenoxy)butylamino]ethanol;oxalic acid
CID 2923218
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
N-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpentan-1-amine
CID 63517402
3-(4-bromo-2-methylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63217089
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
N'-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2297466
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2923532

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine (CID 55161142) is 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine is CCNCCCCCOc1ccc(Br)cc1C.
What is the InChIKey of 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine?
The InChIKey is SFUGJRMJACBENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-16-9-5-4-6-10-17-14-8-7-13(15)11-12(14)2/h7-8,11,16H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine?
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 55161142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).