N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline

C18H29NO2 — CID 60942752

IUPACN-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC(C)C2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(17-8-4-3-5-9-17)19-18-10-6-7-16(13-18)14-21-12-11-20-2/h6-7,10,13,15,17,19H,3-5,8-9,11-12,14H2,1-2H3
InChIKeySFWBJAGOIGFBKP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.23
Rot. Bonds8

About N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline

N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline (PubChem CID 60942752) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
PubChem CID60942752
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
SMILESCOCCOCc1cccc(NC(C)C2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(17-8-4-3-5-9-17)19-18-10-6-7-16(13-18)14-21-12-11-20-2/h6-7,10,13,15,17,19H,3-5,8-9,11-12,14H2,1-2H3
InChIKeySFWBJAGOIGFBKP-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.23
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-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
3-(methoxymethyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43672047
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
3-(2-methoxyethoxymethyl)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972440
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline?
The IUPAC name of N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline (CID 60942752) is N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline?
The canonical SMILES for N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline is COCCOCc1cccc(NC(C)C2CCCCC2)c1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline?
The InChIKey is SFWBJAGOIGFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(17-8-4-3-5-9-17)19-18-10-6-7-16(13-18)14-21-12-11-20-2/h6-7,10,13,15,17,19H,3-5,8-9,11-12,14H2,1-2H3.
What are the key properties of N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline?
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline has a molecular weight of 291.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline is sourced from PubChem (CID 60942752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).