3-(1-methylcyclohexyl)oxyaniline

C13H19NO — CID 117045745

IUPAC3-(1-methylcyclohexyl)oxyaniline
SMILESCC1(Oc2cccc(N)c2)CCCCC1
InChIInChI=1S/C13H19NO/c1-13(8-3-2-4-9-13)15-12-7-5-6-11(14)10-12/h5-7,10H,2-4,8-9,14H2,1H3
InChIKeyVMBZXVDHOBHRJM-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.37
Rot. Bonds2

About 3-(1-methylcyclohexyl)oxyaniline

3-(1-methylcyclohexyl)oxyaniline (PubChem CID 117045745) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(1-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-(1-methylcyclohexyl)oxyaniline
PubChem CID117045745
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(1-methylcyclohexyl)oxyaniline
SMILESCC1(Oc2cccc(N)c2)CCCCC1
InChIInChI=1S/C13H19NO/c1-13(8-3-2-4-9-13)15-12-7-5-6-11(14)10-12/h5-7,10H,2-4,8-9,14H2,1H3
InChIKeyVMBZXVDHOBHRJM-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-phenoxycycloheptane
CID 101026780
1-ethenyl-3-(1-methylcyclopentyl)oxybenzene
CID 18762125
3-[(1-methylcyclononyl)methyl]aniline
CID 91588752
3-methoxyaniline;sulfane
CID 174447811
2-(1-methylcyclohexyl)oxy-4-nitroaniline
CID 68584878
3-(4-methylpiperidin-4-yl)oxyphenol
CID 115025182
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
2-(3-aminophenoxy)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79855622
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclohexyl)oxyaniline?
The IUPAC name of 3-(1-methylcyclohexyl)oxyaniline (CID 117045745) is 3-(1-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 3-(1-methylcyclohexyl)oxyaniline?
The canonical SMILES for 3-(1-methylcyclohexyl)oxyaniline is CC1(Oc2cccc(N)c2)CCCCC1.
What is the InChIKey of 3-(1-methylcyclohexyl)oxyaniline?
The InChIKey is VMBZXVDHOBHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(8-3-2-4-9-13)15-12-7-5-6-11(14)10-12/h5-7,10H,2-4,8-9,14H2,1H3.
What are the key properties of 3-(1-methylcyclohexyl)oxyaniline?
3-(1-methylcyclohexyl)oxyaniline has a molecular weight of 205.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 117045745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).