N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline

C18H29NO2 — CID 64761884

IUPACN-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC2CCC(C)CC2C)c1
InChIInChI=1S/C18H29NO2/c1-14-7-8-18(15(2)11-14)19-17-6-4-5-16(12-17)13-21-10-9-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyLKCMDEYGKSUSAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds7

About N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline

N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline (PubChem CID 64761884) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
PubChem CID64761884
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC2CCC(C)CC2C)c1
InChIInChI=1S/C18H29NO2/c1-14-7-8-18(15(2)11-14)19-17-6-4-5-16(12-17)13-21-10-9-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyLKCMDEYGKSUSAW-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
CID 64762986
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
CID 60933972
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline (CID 64761884) is N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline is COCCOCc1cccc(NC2CCC(C)CC2C)c1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline?
The InChIKey is LKCMDEYGKSUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-7-8-18(15(2)11-14)19-17-6-4-5-16(12-17)13-21-10-9-20-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline?
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline has a molecular weight of 291.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline is sourced from PubChem (CID 64761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).