4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline

C14H22N2O — CID 62135216

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCN(c1ccc(CN)c(C)c1)C1CC1
InChIInChI=1S/C14H22N2O/c1-11-9-14(4-3-12(11)10-15)16(7-8-17-2)13-5-6-13/h3-4,9,13H,5-8,10,15H2,1-2H3
InChIKeyJNOJHLSAUPXQCV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline

4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline (PubChem CID 62135216) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
PubChem CID62135216
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCN(c1ccc(CN)c(C)c1)C1CC1
InChIInChI=1S/C14H22N2O/c1-11-9-14(4-3-12(11)10-15)16(7-8-17-2)13-5-6-13/h3-4,9,13H,5-8,10,15H2,1-2H3
InChIKeyJNOJHLSAUPXQCV-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62128950
2-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-(trifluoromethyl)aniline
CID 61450425
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyridazin-3-amine
CID 80508816
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
CID 62136236
6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122840
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 114066816
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 55152229
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline (CID 62135216) is 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline is COCCN(c1ccc(CN)c(C)c1)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline?
The InChIKey is JNOJHLSAUPXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-14(4-3-12(11)10-15)16(7-8-17-2)13-5-6-13/h3-4,9,13H,5-8,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline?
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline is sourced from PubChem (CID 62135216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).