1-(3-bromophenoxy)-N-ethylhexan-3-amine

C14H22BrNO — CID 54970645

IUPAC1-(3-bromophenoxy)-N-ethylhexan-3-amine
SMILESCCCC(CCOc1cccc(Br)c1)NCC
InChIInChI=1S/C14H22BrNO/c1-3-6-13(16-4-2)9-10-17-14-8-5-7-12(15)11-14/h5,7-8,11,13,16H,3-4,6,9-10H2,1-2H3
InChIKeyZFVVJBGBPUHNJE-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.00
Rot. Bonds8

About 1-(3-bromophenoxy)-N-ethylhexan-3-amine

1-(3-bromophenoxy)-N-ethylhexan-3-amine (PubChem CID 54970645) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name1-(3-bromophenoxy)-N-ethylhexan-3-amine
PubChem CID54970645
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromophenoxy)-N-ethylhexan-3-amine
SMILESCCCC(CCOc1cccc(Br)c1)NCC
InChIInChI=1S/C14H22BrNO/c1-3-6-13(16-4-2)9-10-17-14-8-5-7-12(15)11-14/h5,7-8,11,13,16H,3-4,6,9-10H2,1-2H3
InChIKeyZFVVJBGBPUHNJE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
CID 62319836
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
CID 54970505
1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
2-[2-(3-bromophenoxy)ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 63521320
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-N-ethylhexan-3-amine?
The IUPAC name of 1-(3-bromophenoxy)-N-ethylhexan-3-amine (CID 54970645) is 1-(3-bromophenoxy)-N-ethylhexan-3-amine.
What is the SMILES notation for 1-(3-bromophenoxy)-N-ethylhexan-3-amine?
The canonical SMILES for 1-(3-bromophenoxy)-N-ethylhexan-3-amine is CCCC(CCOc1cccc(Br)c1)NCC.
What is the InChIKey of 1-(3-bromophenoxy)-N-ethylhexan-3-amine?
The InChIKey is ZFVVJBGBPUHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-6-13(16-4-2)9-10-17-14-8-5-7-12(15)11-14/h5,7-8,11,13,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenoxy)-N-ethylhexan-3-amine?
1-(3-bromophenoxy)-N-ethylhexan-3-amine has a molecular weight of 300.24 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-N-ethylhexan-3-amine is sourced from PubChem (CID 54970645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).