4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid

C16H23NO2 — CID 60992420

IUPAC4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ccc(C)cc2)(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-8-10-16(11-9-13,15(18)19)17-14-6-4-12(2)5-7-14/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyAQNXNPXTHGVKKR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.83
Rot. Bonds4

About 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid

4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid (PubChem CID 60992420) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
PubChem CID60992420
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ccc(C)cc2)(C(=O)O)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-8-10-16(11-9-13,15(18)19)17-14-6-4-12(2)5-7-14/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyAQNXNPXTHGVKKR-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloroanilino)-4-ethylcycloheptane-1-carboxylic acid
CID 65085660
3-(4-methylanilino)thiolane-3-carboxylic acid
CID 60992287
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
1-[(4,6-dimethylpyrimidin-2-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292663
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
4-ethyl-1-[(2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 55112955
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501
3-(4-methylanilino)-1,1-dioxothiolane-3-carboxylic acid
CID 63166074
3-cyclopropyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 64624031
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
1-[(2,6-dimethylpyrimidin-4-yl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61292857
4-(4-methylanilino)oxepane-4-carboxylic acid
CID 65079627

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid (CID 60992420) is 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid is CCC1CCC(Nc2ccc(C)cc2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is AQNXNPXTHGVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-8-10-16(11-9-13,15(18)19)17-14-6-4-12(2)5-7-14/h4-7,13,17H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).