4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine

C13H19BrFN — CID 60995995

IUPAC4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-4-16-10(3)9(2)7-11-8-12(14)5-6-13(11)15/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyNNHFBSDTISCBBL-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.76
Rot. Bonds5

About 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine

4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine (PubChem CID 60995995) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
PubChem CID60995995
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-4-16-10(3)9(2)7-11-8-12(14)5-6-13(11)15/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyNNHFBSDTISCBBL-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995739
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 62607697
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105131796

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine (CID 60995995) is 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine is CCNC(C)C(C)Cc1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
The InChIKey is NNHFBSDTISCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-16-10(3)9(2)7-11-8-12(14)5-6-13(11)15/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine?
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 60995995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).