N-(2-methoxycyclohexyl)aniline

C13H19NO — CID 2851809

IUPACN-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h2-4,7-8,12-14H,5-6,9-10H2,1H3
InChIKeyAIWUEFRPZLVRCO-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.06
Rot. Bonds3

About N-(2-methoxycyclohexyl)aniline

N-(2-methoxycyclohexyl)aniline (PubChem CID 2851809) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)aniline
PubChem CID2851809
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h2-4,7-8,12-14H,5-6,9-10H2,1H3
InChIKeyAIWUEFRPZLVRCO-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)aniline?
The IUPAC name of N-(2-methoxycyclohexyl)aniline (CID 2851809) is N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccccc1.
What is the InChIKey of N-(2-methoxycyclohexyl)aniline?
The InChIKey is AIWUEFRPZLVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h2-4,7-8,12-14H,5-6,9-10H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)aniline?
N-(2-methoxycyclohexyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 2851809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).