1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine

C14H19BrFN — CID 83155186

IUPAC1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(F)c(Br)c1)C(C)C1CC1
InChIInChI=1S/C14H19BrFN/c1-3-17-14(9(2)10-4-5-10)11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyCHCOZXKSYBLMJW-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine

1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 83155186) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
PubChem CID83155186
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(F)c(Br)c1)C(C)C1CC1
InChIInChI=1S/C14H19BrFN/c1-3-17-14(9(2)10-4-5-10)11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3
InChIKeyCHCOZXKSYBLMJW-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
2-cyclopropyl-N-ethyl-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 83149804
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine (CID 83155186) is 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine is CCNC(c1ccc(F)c(Br)c1)C(C)C1CC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is CHCOZXKSYBLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-3-17-14(9(2)10-4-5-10)11-6-7-13(16)12(15)8-11/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 83155186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).