2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline

C12H14BrClFN — CID 107610311

IUPAC2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
SMILESCC(CC1CC1)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFN/c1-7(4-8-2-3-8)16-12-10(13)5-9(15)6-11(12)14/h5-8,16H,2-4H2,1H3
InChIKeyDGWIVYYEMJAFNP-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.84
Rot. Bonds4

About 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline

2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline (PubChem CID 107610311) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
PubChem CID107610311
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
SMILESCC(CC1CC1)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFN/c1-7(4-8-2-3-8)16-12-10(13)5-9(15)6-11(12)14/h5-8,16H,2-4H2,1H3
InChIKeyDGWIVYYEMJAFNP-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
CID 107610038
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
3,5-dichloro-6-N-(1-cyclopropylpropan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 102758446
3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 107612698
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline (CID 107610311) is 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline is CC(CC1CC1)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline?
The InChIKey is DGWIVYYEMJAFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c1-7(4-8-2-3-8)16-12-10(13)5-9(15)6-11(12)14/h5-8,16H,2-4H2,1H3.
What are the key properties of 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline?
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline has a molecular weight of 306.61 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline is sourced from PubChem (CID 107610311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).