2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline

C16H15BrFN — CID 107598245

IUPAC2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1ccccc1C1CC1
InChIInChI=1S/C16H15BrFN/c17-14-6-3-7-15(18)16(14)19-10-12-4-1-2-5-13(12)11-8-9-11/h1-7,11,19H,8-10H2
InChIKeyLJHWDNWNRAIBTH-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.08
Rot. Bonds4

About 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline

2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline (PubChem CID 107598245) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
PubChem CID107598245
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline
SMILESFc1cccc(Br)c1NCc1ccccc1C1CC1
InChIInChI=1S/C16H15BrFN/c17-14-6-3-7-15(18)16(14)19-10-12-4-1-2-5-13(12)11-8-9-11/h1-7,11,19H,8-10H2
InChIKeyLJHWDNWNRAIBTH-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.21
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
4-bromo-N-[(2-cyclopropylphenyl)methyl]-2,5-difluoroaniline
CID 107609725
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
2,6-dichloro-N-[(2-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 83077048
2-bromo-6-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 103741870
2-bromo-4-chloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 81263184
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107600744
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 107598558

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline?
The IUPAC name of 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline (CID 107598245) is 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline is Fc1cccc(Br)c1NCc1ccccc1C1CC1.
What is the InChIKey of 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline?
The InChIKey is LJHWDNWNRAIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-6-3-7-15(18)16(14)19-10-12-4-1-2-5-13(12)11-8-9-11/h1-7,11,19H,8-10H2.
What are the key properties of 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline?
2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline has a molecular weight of 320.21 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-cyclopropylphenyl)methyl]-6-fluoroaniline is sourced from PubChem (CID 107598245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).