4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline

C12H15BrFN — CID 65436466

IUPAC4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
SMILESCCC(Nc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H15BrFN/c1-2-12(8-3-4-8)15-9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4H2,1H3
InChIKeyZQNQHAVSEPZWPU-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.19
Rot. Bonds4

About 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline

4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline (PubChem CID 65436466) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
PubChem CID65436466
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
SMILESCCC(Nc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H15BrFN/c1-2-12(8-3-4-8)15-9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4H2,1H3
InChIKeyZQNQHAVSEPZWPU-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
CID 81260160
4-(1-cyclopropylpropylamino)phenol
CID 64918837
3-bromo-N-(1-cyclopropylpropyl)-4-nitroaniline
CID 82864937
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
2,5-dibromo-N-(1-cyclopropylpropyl)aniline
CID 64919710
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
CID 115929163
4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
CID 65436900

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline?
The IUPAC name of 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline (CID 65436466) is 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline is CCC(Nc1ccc(Br)c(F)c1)C1CC1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline?
The InChIKey is ZQNQHAVSEPZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-2-12(8-3-4-8)15-9-5-6-10(13)11(14)7-9/h5-8,12,15H,2-4H2,1H3.
What are the key properties of 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline?
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline has a molecular weight of 272.16 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline is sourced from PubChem (CID 65436466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).