2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline

C13H20FNO — CID 143658491

IUPAC2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
SMILESCc1ccc(NCC(C)OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)16-11(4)8-15-13-6-5-10(3)7-12(13)14/h5-7,9,11,15H,8H2,1-4H3
InChIKeyXERCLIJEECTFNM-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.36
Rot. Bonds5

About 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline

2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline (PubChem CID 143658491) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
PubChem CID143658491
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
SMILESCc1ccc(NCC(C)OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)16-11(4)8-15-13-6-5-10(3)7-12(13)14/h5-7,9,11,15H,8H2,1-4H3
InChIKeyXERCLIJEECTFNM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
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N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
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CID 130611807
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
2-(2-methoxypropylamino)-5-methylbenzenecarbothioamide
CID 107929339
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
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CID 65332580

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline (CID 143658491) is 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline is Cc1ccc(NCC(C)OC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline?
The InChIKey is XERCLIJEECTFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)16-11(4)8-15-13-6-5-10(3)7-12(13)14/h5-7,9,11,15H,8H2,1-4H3.
What are the key properties of 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline?
2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline has a molecular weight of 225.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline is sourced from PubChem (CID 143658491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).