N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

C18H30N2O — CID 63059978

IUPACN-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(c1ccccc1CNCCOC)C1CCCCC1
InChIInChI=1S/C18H30N2O/c1-3-20(17-10-5-4-6-11-17)18-12-8-7-9-16(18)15-19-13-14-21-2/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3
InChIKeyYQTVZNLAKKEXKW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds8

About N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (PubChem CID 63059978) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
PubChem CID63059978
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(c1ccccc1CNCCOC)C1CCCCC1
InChIInChI=1S/C18H30N2O/c1-3-20(17-10-5-4-6-11-17)18-12-8-7-9-16(18)15-19-13-14-21-2/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3
InChIKeyYQTVZNLAKKEXKW-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
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

3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059854
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632112
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
CID 43280959
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (CID 63059978) is N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is CCN(c1ccccc1CNCCOC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is YQTVZNLAKKEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-20(17-10-5-4-6-11-17)18-12-8-7-9-16(18)15-19-13-14-21-2/h7-9,12,17,19H,3-6,10-11,13-15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 63059978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).