2-fluoro-4-methyl-N-(3-methylbutyl)aniline

C12H18FN — CID 28877553

IUPAC2-fluoro-4-methyl-N-(3-methylbutyl)aniline
SMILESCc1ccc(NCCC(C)C)c(F)c1
InChIInChI=1S/C12H18FN/c1-9(2)6-7-14-12-5-4-10(3)8-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyCDKZZCWLETXDNV-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.59
Rot. Bonds4

About 2-fluoro-4-methyl-N-(3-methylbutyl)aniline

2-fluoro-4-methyl-N-(3-methylbutyl)aniline (PubChem CID 28877553) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(3-methylbutyl)aniline
PubChem CID28877553
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-4-methyl-N-(3-methylbutyl)aniline
SMILESCc1ccc(NCCC(C)C)c(F)c1
InChIInChI=1S/C12H18FN/c1-9(2)6-7-14-12-5-4-10(3)8-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyCDKZZCWLETXDNV-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
CID 143658491
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
2-fluoro-4-methyl-N-(3-methylsulfonylpropyl)aniline
CID 63190667
N-(2-tert-butylsulfonylethyl)-2-fluoro-4-methylaniline
CID 106723131
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline
CID 130611807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(3-methylbutyl)aniline (CID 28877553) is 2-fluoro-4-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(3-methylbutyl)aniline is Cc1ccc(NCCC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(3-methylbutyl)aniline?
The InChIKey is CDKZZCWLETXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)6-7-14-12-5-4-10(3)8-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-N-(3-methylbutyl)aniline?
2-fluoro-4-methyl-N-(3-methylbutyl)aniline has a molecular weight of 195.28 g/mol, XLogP of 3.59, 4 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-(3-methylbutyl)aniline is sourced from PubChem (CID 28877553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).