4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C17H25FN2O — CID 114838335

IUPAC4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCCC2C2CCCN2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-11-12(8-9-14(17)18)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
InChIKeyONXLTLNEEWWIGZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.56
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 114838335) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID114838335
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCCC2C2CCCN2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-11-12(8-9-14(17)18)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
InChIKeyONXLTLNEEWWIGZ-UHFFFAOYSA-N
XLogP3.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79539259
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
4-chloro-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79549651
5-bromo-2-fluoro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546354
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 114838335) is 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is COc1cc(NC2CCCCC2C2CCCN2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is ONXLTLNEEWWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-11-12(8-9-14(17)18)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 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 292.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 114838335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).