3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

C15H23FN2 — CID 79537051

IUPAC3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1cc(F)cc(NC(C)CC2CCCCN2)c1
InChIInChI=1S/C15H23FN2/c1-11-7-13(16)10-15(8-11)18-12(2)9-14-5-3-4-6-17-14/h7-8,10,12,14,17-18H,3-6,9H2,1-2H3
InChIKeyQSJIBTCQXGMKMH-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds4

About 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79537051) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79537051
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1cc(F)cc(NC(C)CC2CCCCN2)c1
InChIInChI=1S/C15H23FN2/c1-11-7-13(16)10-15(8-11)18-12(2)9-14-5-3-4-6-17-14/h7-8,10,12,14,17-18H,3-6,9H2,1-2H3
InChIKeyQSJIBTCQXGMKMH-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-5-fluoroaniline
CID 107364392
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79537051) is 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is Cc1cc(F)cc(NC(C)CC2CCCCN2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is QSJIBTCQXGMKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-7-13(16)10-15(8-11)18-12(2)9-14-5-3-4-6-17-14/h7-8,10,12,14,17-18H,3-6,9H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 250.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79537051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).