1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine

C14H21BrFN — CID 114246520

IUPAC1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1cccc(F)c1Br
InChIInChI=1S/C14H21BrFN/c1-3-4-6-10(2)13(17)9-11-7-5-8-12(16)14(11)15/h5,7-8,10,13H,3-4,6,9,17H2,1-2H3
InChIKeyBIUCBJOOQAAPCY-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.28
Rot. Bonds6

About 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine

1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine (PubChem CID 114246520) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
PubChem CID114246520
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1cccc(F)c1Br
InChIInChI=1S/C14H21BrFN/c1-3-4-6-10(2)13(17)9-11-7-5-8-12(16)14(11)15/h5,7-8,10,13H,3-4,6,9,17H2,1-2H3
InChIKeyBIUCBJOOQAAPCY-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-bromo-3-fluorophenyl)nonan-1-amine
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2-(2-bromo-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine (CID 114246520) is 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine is CCCCC(C)C(N)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine?
The InChIKey is BIUCBJOOQAAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-3-4-6-10(2)13(17)9-11-7-5-8-12(16)14(11)15/h5,7-8,10,13H,3-4,6,9,17H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine is sourced from PubChem (CID 114246520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).