4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline

C14H22FN — CID 63478411

IUPAC4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
SMILESCc1cc(NC(C)CCC(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-10(2)5-6-12(4)16-13-7-8-14(15)11(3)9-13/h7-10,12,16H,5-6H2,1-4H3
InChIKeyVCFXGBXZVRFPCQ-UHFFFAOYSA-N
MW223.33 g/mol
LogP4.37
Rot. Bonds5

About 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline

4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline (PubChem CID 63478411) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
PubChem CID63478411
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
SMILESCc1cc(NC(C)CCC(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-10(2)5-6-12(4)16-13-7-8-14(15)11(3)9-13/h7-10,12,16H,5-6H2,1-4H3
InChIKeyVCFXGBXZVRFPCQ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
3-iodo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 43716218
3-bromo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 63464565
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
2-methyl-4-(5-methylhexan-2-ylamino)benzoic acid
CID 81282290
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
2-N-(4-fluoro-3-methylphenyl)-3-methylbutane-1,2-diamine
CID 115137867
2-methyl-4-(5-methylhexan-2-ylamino)benzenecarbothioamide
CID 81277688
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline?
The IUPAC name of 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline (CID 63478411) is 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline.
What is the SMILES notation for 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline?
The canonical SMILES for 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline is Cc1cc(NC(C)CCC(C)C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline?
The InChIKey is VCFXGBXZVRFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)5-6-12(4)16-13-7-8-14(15)11(3)9-13/h7-10,12,16H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline?
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline has a molecular weight of 223.33 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline is sourced from PubChem (CID 63478411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).