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

C15H24BrN — CID 83921620

IUPAC1-(3-bromo-4-ethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(CC)c(Br)c1
InChIInChI=1S/C15H24BrN/c1-3-6-14(17)8-5-7-12-9-10-13(4-2)15(16)11-12/h9-11,14H,3-8,17H2,1-2H3
InChIKeyXRZIAMWCTJNXAK-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.46
Rot. Bonds7

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

1-(3-bromo-4-ethylphenyl)heptan-4-amine (PubChem CID 83921620) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(3-bromo-4-ethylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-ethylphenyl)heptan-4-amine
PubChem CID83921620
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(3-bromo-4-ethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(CC)c(Br)c1
InChIInChI=1S/C15H24BrN/c1-3-6-14(17)8-5-7-12-9-10-13(4-2)15(16)11-12/h9-11,14H,3-8,17H2,1-2H3
InChIKeyXRZIAMWCTJNXAK-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(3-bromophenyl)heptan-4-amine
CID 64504358
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-(4-aminoheptyl)aniline
CID 83928416
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
1-(3-bromo-2-methylphenyl)heptan-4-amine
CID 83925953
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethylphenyl)heptan-4-amine?
The IUPAC name of 1-(3-bromo-4-ethylphenyl)heptan-4-amine (CID 83921620) is 1-(3-bromo-4-ethylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(3-bromo-4-ethylphenyl)heptan-4-amine?
The canonical SMILES for 1-(3-bromo-4-ethylphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(CC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-ethylphenyl)heptan-4-amine?
The InChIKey is XRZIAMWCTJNXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-3-6-14(17)8-5-7-12-9-10-13(4-2)15(16)11-12/h9-11,14H,3-8,17H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethylphenyl)heptan-4-amine?
1-(3-bromo-4-ethylphenyl)heptan-4-amine has a molecular weight of 298.27 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethylphenyl)heptan-4-amine is sourced from PubChem (CID 83921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).