2-fluoro-4-methyl-N-octan-2-ylaniline

C15H24FN — CID 43130115

IUPAC2-fluoro-4-methyl-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1ccc(C)cc1F
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-13(3)17-15-10-9-12(2)11-14(15)16/h9-11,13,17H,4-8H2,1-3H3
InChIKeyLRSSROBEKIVEOX-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.90
Rot. Bonds7

About 2-fluoro-4-methyl-N-octan-2-ylaniline

2-fluoro-4-methyl-N-octan-2-ylaniline (PubChem CID 43130115) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-octan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-octan-2-ylaniline
PubChem CID43130115
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-fluoro-4-methyl-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1ccc(C)cc1F
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-13(3)17-15-10-9-12(2)11-14(15)16/h9-11,13,17H,4-8H2,1-3H3
InChIKeyLRSSROBEKIVEOX-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
2-(heptan-2-ylamino)-5-methylbenzenecarbothioamide
CID 114017059
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2-fluoro-N-heptan-3-yl-4-methylaniline
CID 63944900
4-methyl-2-nitro-N-nonan-2-ylaniline
CID 43718690
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-octan-2-ylaniline?
The IUPAC name of 2-fluoro-4-methyl-N-octan-2-ylaniline (CID 43130115) is 2-fluoro-4-methyl-N-octan-2-ylaniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-octan-2-ylaniline?
The canonical SMILES for 2-fluoro-4-methyl-N-octan-2-ylaniline is CCCCCCC(C)Nc1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methyl-N-octan-2-ylaniline?
The InChIKey is LRSSROBEKIVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-5-6-7-8-13(3)17-15-10-9-12(2)11-14(15)16/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-N-octan-2-ylaniline?
2-fluoro-4-methyl-N-octan-2-ylaniline has a molecular weight of 237.36 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-octan-2-ylaniline is sourced from PubChem (CID 43130115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).