1-(3-bromo-4-ethoxyphenyl)heptan-4-amine

C15H24BrNO — CID 83926181

IUPAC1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)c(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-6-13(17)8-5-7-12-9-10-15(18-4-2)14(16)11-12/h9-11,13H,3-8,17H2,1-2H3
InChIKeyUIYBOYPNQICAAV-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.30
Rot. Bonds8

About 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine

1-(3-bromo-4-ethoxyphenyl)heptan-4-amine (PubChem CID 83926181) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
PubChem CID83926181
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)c(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-6-13(17)8-5-7-12-9-10-15(18-4-2)14(16)11-12/h9-11,13H,3-8,17H2,1-2H3
InChIKeyUIYBOYPNQICAAV-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
1-(3-bromophenyl)heptan-4-amine
CID 64504358
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine (CID 83926181) is 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(OCC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine?
The InChIKey is UIYBOYPNQICAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-6-13(17)8-5-7-12-9-10-15(18-4-2)14(16)11-12/h9-11,13H,3-8,17H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine?
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine has a molecular weight of 314.27 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)heptan-4-amine is sourced from PubChem (CID 83926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).