5-(3-bromophenoxy)-N,3-diethylpentan-2-amine

C15H24BrNO — CID 54971361

IUPAC5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
SMILESCCNC(C)C(CC)CCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-13(12(3)17-5-2)9-10-18-15-8-6-7-14(16)11-15/h6-8,11-13,17H,4-5,9-10H2,1-3H3
InChIKeyCKECNZJVTPWXBF-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.24
Rot. Bonds8

About 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine

5-(3-bromophenoxy)-N,3-diethylpentan-2-amine (PubChem CID 54971361) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
PubChem CID54971361
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
SMILESCCNC(C)C(CC)CCOc1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-13(12(3)17-5-2)9-10-18-15-8-6-7-14(16)11-15/h6-8,11-13,17H,4-5,9-10H2,1-3H3
InChIKeyCKECNZJVTPWXBF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
CID 62319836
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine?
The IUPAC name of 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine (CID 54971361) is 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine.
What is the SMILES notation for 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine?
The canonical SMILES for 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine is CCNC(C)C(CC)CCOc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine?
The InChIKey is CKECNZJVTPWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-13(12(3)17-5-2)9-10-18-15-8-6-7-14(16)11-15/h6-8,11-13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine?
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenoxy)-N,3-diethylpentan-2-amine is sourced from PubChem (CID 54971361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).