N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline

C17H26N2O — CID 62123829

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCN(c1ccc(CNC2CC2)cc1C)C1CC1
InChIInChI=1S/C17H26N2O/c1-13-11-14(12-18-15-4-5-15)3-8-17(13)19(9-10-20-2)16-6-7-16/h3,8,11,15-16,18H,4-7,9-10,12H2,1-2H3
InChIKeyOJZRRIROBGOUDG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds8

About N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline

N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline (PubChem CID 62123829) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
PubChem CID62123829
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCN(c1ccc(CNC2CC2)cc1C)C1CC1
InChIInChI=1S/C17H26N2O/c1-13-11-14(12-18-15-4-5-15)3-8-17(13)19(9-10-20-2)16-6-7-16/h3,8,11,15-16,18H,4-7,9-10,12H2,1-2H3
InChIKeyOJZRRIROBGOUDG-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
CID 54946681
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
4-[(tert-butylamino)methyl]-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 81148121
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylthiolan-3-amine
CID 62119974
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline (CID 62123829) is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline is COCCN(c1ccc(CNC2CC2)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline?
The InChIKey is OJZRRIROBGOUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-11-14(12-18-15-4-5-15)3-8-17(13)19(9-10-20-2)16-6-7-16/h3,8,11,15-16,18H,4-7,9-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline?
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline has a molecular weight of 274.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 62123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).