2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline

C14H22FN — CID 155088151

IUPAC2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCC(C)Cc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)8-12-6-7-14(13(15)9-12)16(5)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKeyYKJVBCWNHCUHEZ-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.87
Rot. Bonds4

About 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline

2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline (PubChem CID 155088151) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
PubChem CID155088151
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCC(C)Cc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)8-12-6-7-14(13(15)9-12)16(5)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKeyYKJVBCWNHCUHEZ-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679328
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluoro-N-methylaniline
CID 63565676
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679319
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline?
The IUPAC name of 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline (CID 155088151) is 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline is CC(C)Cc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline?
The InChIKey is YKJVBCWNHCUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)8-12-6-7-14(13(15)9-12)16(5)11(3)4/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline?
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline has a molecular weight of 223.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 155088151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).