2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine

C14H21BrFN — CID 82972669

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(C(C)C)C(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-5-17-14(9(2)3)10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3
InChIKeyOXAKGRJTFIFACE-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine

2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine (PubChem CID 82972669) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
PubChem CID82972669
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(C(C)C)C(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H21BrFN/c1-5-17-14(9(2)3)10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3
InChIKeyOXAKGRJTFIFACE-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
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1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
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1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
2-(4-bromo-2-fluorophenyl)hexan-3-amine
CID 83048380
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
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4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
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CID 82964200

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine (CID 82972669) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine is CCNC(C(C)C)C(C)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine?
The InChIKey is OXAKGRJTFIFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-5-17-14(9(2)3)10(4)12-7-6-11(15)8-13(12)16/h6-10,14,17H,5H2,1-4H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine has a molecular weight of 302.23 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine is sourced from PubChem (CID 82972669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).