2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline

C10H11BrFN — CID 43560333

IUPAC2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CC2)c(Br)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyATHRJTXVDNOEJG-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline

2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline (PubChem CID 43560333) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
PubChem CID43560333
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CC2)c(Br)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyATHRJTXVDNOEJG-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(3,3-difluorocyclopentyl)methyl]-4-fluoroaniline
CID 114223731
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
CID 43371532
2-bromo-N-(cycloheptylmethyl)-4-iodoaniline
CID 114258973
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276
2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 43261742
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline (CID 43560333) is 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline is Fc1ccc(NCC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline?
The InChIKey is ATHRJTXVDNOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline?
2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline has a molecular weight of 244.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline is sourced from PubChem (CID 43560333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).