5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine

C14H22BrNO2 — CID 62319836

IUPAC5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
SMILESCCNC(CCCOc1cccc(Br)c1)COC
InChIInChI=1S/C14H22BrNO2/c1-3-16-13(11-17-2)7-5-9-18-14-8-4-6-12(15)10-14/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyXRDHEGPNDBPFQV-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.23
Rot. Bonds9

About 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine

5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine (PubChem CID 62319836) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine.

Molecular Properties

Compound Name5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
PubChem CID62319836
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
SMILESCCNC(CCCOc1cccc(Br)c1)COC
InChIInChI=1S/C14H22BrNO2/c1-3-16-13(11-17-2)7-5-9-18-14-8-4-6-12(15)10-14/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyXRDHEGPNDBPFQV-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine?
The IUPAC name of 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine (CID 62319836) is 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine.
What is the SMILES notation for 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine?
The canonical SMILES for 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine is CCNC(CCCOc1cccc(Br)c1)COC.
What is the InChIKey of 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine?
The InChIKey is XRDHEGPNDBPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-3-16-13(11-17-2)7-5-9-18-14-8-4-6-12(15)10-14/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3.
What are the key properties of 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine?
5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine has a molecular weight of 316.24 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine is sourced from PubChem (CID 62319836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).