3-fluoro-N-(2-methoxycyclohexyl)aniline

C13H18FNO — CID 43762223

IUPAC3-fluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-16-13-8-3-2-7-12(13)15-11-6-4-5-10(14)9-11/h4-6,9,12-13,15H,2-3,7-8H2,1H3
InChIKeyZDLANEVFERNXJC-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.20
Rot. Bonds3

About 3-fluoro-N-(2-methoxycyclohexyl)aniline

3-fluoro-N-(2-methoxycyclohexyl)aniline (PubChem CID 43762223) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxycyclohexyl)aniline
PubChem CID43762223
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-16-13-8-3-2-7-12(13)15-11-6-4-5-10(14)9-11/h4-6,9,12-13,15H,2-3,7-8H2,1H3
InChIKeyZDLANEVFERNXJC-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 3-fluoro-N-(2-methoxycyclohexyl)aniline (CID 43762223) is 3-fluoro-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 3-fluoro-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 3-fluoro-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxycyclohexyl)aniline?
The InChIKey is ZDLANEVFERNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-8-3-2-7-12(13)15-11-6-4-5-10(14)9-11/h4-6,9,12-13,15H,2-3,7-8H2,1H3.
What are the key properties of 3-fluoro-N-(2-methoxycyclohexyl)aniline?
3-fluoro-N-(2-methoxycyclohexyl)aniline has a molecular weight of 223.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43762223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).