2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C17H25FN2 — CID 79546014

IUPAC2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCc1ccc(NC2CCCCC2C2CCCN2)c(F)c1
InChIInChI=1S/C17H25FN2/c1-12-8-9-17(14(18)11-12)20-16-6-3-2-5-13(16)15-7-4-10-19-15/h8-9,11,13,15-16,19-20H,2-7,10H2,1H3
InChIKeyBFICAAHAEDQICU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.86
Rot. Bonds3

About 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79546014) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79546014
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCc1ccc(NC2CCCCC2C2CCCN2)c(F)c1
InChIInChI=1S/C17H25FN2/c1-12-8-9-17(14(18)11-12)20-16-6-3-2-5-13(16)15-7-4-10-19-15/h8-9,11,13,15-16,19-20H,2-7,10H2,1H3
InChIKeyBFICAAHAEDQICU-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682
4-bromo-2-fluoro-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79539388
2,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537662
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79544499
4-bromo-2,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107609439
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
N-(2-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79546014) is 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is Cc1ccc(NC2CCCCC2C2CCCN2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is BFICAAHAEDQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12-8-9-17(14(18)11-12)20-16-6-3-2-5-13(16)15-7-4-10-19-15/h8-9,11,13,15-16,19-20H,2-7,10H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 276.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79546014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).