5-chloro-2-fluoro-N-(2-methylpentyl)aniline

C12H17ClFN — CID 43438253

IUPAC5-chloro-2-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFN/c1-3-4-9(2)8-15-12-7-10(13)5-6-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyKDLQRNCONBRPPZ-UHFFFAOYSA-N
MW229.73 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-2-fluoro-N-(2-methylpentyl)aniline

5-chloro-2-fluoro-N-(2-methylpentyl)aniline (PubChem CID 43438253) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(2-methylpentyl)aniline
PubChem CID43438253
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name5-chloro-2-fluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFN/c1-3-4-9(2)8-15-12-7-10(13)5-6-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyKDLQRNCONBRPPZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
5-fluoro-2-(2-methylpentylamino)benzonitrile
CID 82014031
2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
CID 43729973
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(2-methylpentyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(2-methylpentyl)aniline (CID 43438253) is 5-chloro-2-fluoro-N-(2-methylpentyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(2-methylpentyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(2-methylpentyl)aniline is CCCC(C)CNc1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(2-methylpentyl)aniline?
The InChIKey is KDLQRNCONBRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-4-9(2)8-15-12-7-10(13)5-6-11(12)14/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-(2-methylpentyl)aniline?
5-chloro-2-fluoro-N-(2-methylpentyl)aniline has a molecular weight of 229.73 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43438253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).