2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline

C17H25NO — CID 23143013

IUPAC2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline
SMILESCCC1(CC)CC=C(c2ccc(OC)cc2N)CC1
InChIInChI=1S/C17H25NO/c1-4-17(5-2)10-8-13(9-11-17)15-7-6-14(19-3)12-16(15)18/h6-8,12H,4-5,9-11,18H2,1-3H3
InChIKeyMDJNWNDZMRAXSV-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.65
Rot. Bonds4

About 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline

2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline (PubChem CID 23143013) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline
PubChem CID23143013
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline
SMILESCCC1(CC)CC=C(c2ccc(OC)cc2N)CC1
InChIInChI=1S/C17H25NO/c1-4-17(5-2)10-8-13(9-11-17)15-7-6-14(19-3)12-16(15)18/h6-8,12H,4-5,9-11,18H2,1-3H3
InChIKeyMDJNWNDZMRAXSV-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.65
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-[2-(4,4-diethylcyclohexen-1-yl)-5-methoxyphenyl]piperazine
CID 23142033
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
CID 172861963
4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
CID 18180234
1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
2-ethyl-7-methoxy-2-propyl-3,4-dihydrochromene
CID 172625552
2-(6-methoxy-4,4-dimethyl-3H-naphthalen-1-yl)ethanol
CID 86028923
4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
CID 83261958
N-[(1-ethylcyclopropyl)methyl]-5-methoxy-2-nitroaniline
CID 103736861
(3aR)-3a-ethyl-8-methoxy-2,4,5,10-tetrahydrocyclopenta[a]fluoren-3-one
CID 27236272

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline?
The IUPAC name of 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline (CID 23143013) is 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline.
What is the SMILES notation for 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline?
The canonical SMILES for 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline is CCC1(CC)CC=C(c2ccc(OC)cc2N)CC1.
What is the InChIKey of 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline?
The InChIKey is MDJNWNDZMRAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-17(5-2)10-8-13(9-11-17)15-7-6-14(19-3)12-16(15)18/h6-8,12H,4-5,9-11,18H2,1-3H3.
What are the key properties of 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline?
2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline has a molecular weight of 259.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylcyclohexen-1-yl)-5-methoxyaniline is sourced from PubChem (CID 23143013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).