5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline

C16H15BrFN — CID 79979064

IUPAC5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H15BrFN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyQQNVBCUCPIEKTG-UHFFFAOYSA-N
MW320.21 g/mol
LogP5.08
Rot. Bonds4

About 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline

5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline (PubChem CID 79979064) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
PubChem CID79979064
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1ccc(C2CC2)cc1
InChIInChI=1S/C16H15BrFN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyQQNVBCUCPIEKTG-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

5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79983845
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79979427
3-[(4-cyclopropylphenyl)methylamino]-4-fluorobenzoic acid
CID 79969560
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 104776123
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2-fluoroaniline
CID 43555202
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-fluoroaniline
CID 43555257
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43777556
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
N-[(4-cyclopropylphenyl)methyl]-2-fluoro-4-nitroaniline
CID 79970234
N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 79978801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline (CID 79979064) is 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCc1ccc(C2CC2)cc1.
What is the InChIKey of 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline?
The InChIKey is QQNVBCUCPIEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-7-8-15(18)16(9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2.
What are the key properties of 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline?
5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-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 5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 79979064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).