3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline

C13H20FN — CID 43098407

IUPAC3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-9(2)7-11(4)15-12-6-5-10(3)13(14)8-12/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyBUAURQNIKVQCDV-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.98
Rot. Bonds4

About 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline

3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 43098407) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID43098407
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-9(2)7-11(4)15-12-6-5-10(3)13(14)8-12/h5-6,8-9,11,15H,7H2,1-4H3
InChIKeyBUAURQNIKVQCDV-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
2-fluoro-4-(4-methylpentan-2-ylamino)benzoic acid
CID 115485152
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
N-(1,1-difluoropropan-2-yl)-3-fluoro-4-methylaniline
CID 102867861
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43203342
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
3-methyl-4-[2-[2-methyl-4-(4-methylpentan-2-ylamino)phenoxy]ethoxy]-N-(4-methylpentan-2-yl)aniline
CID 70605236
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline (CID 43098407) is 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline is Cc1ccc(NC(C)CC(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is BUAURQNIKVQCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(2)7-11(4)15-12-6-5-10(3)13(14)8-12/h5-6,8-9,11,15H,7H2,1-4H3.
What are the key properties of 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline?
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 209.31 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43098407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).