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

C11H18N2O — CID 57048374

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCNc1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13-5-6-14-2)4-3-10(9)8-12/h3-4,7,13H,5-6,8,12H2,1-2H3
InChIKeyAVLMIBQTIQZZOS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds5

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

4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline (PubChem CID 57048374) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
PubChem CID57048374
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
SMILESCOCCNc1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13-5-6-14-2)4-3-10(9)8-12/h3-4,7,13H,5-6,8,12H2,1-2H3
InChIKeyAVLMIBQTIQZZOS-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-3-methyl-N-propylaniline
CID 81273118
1-N-(2-methoxyethyl)-4-methylbenzene-1,3-diamine
CID 62911609
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
6-(aminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 115487003
4-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 68602874
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
CID 114889645
N-(2-methoxyethyl)-4-[4-[4-(2-methoxyethylamino)phenyl]-2,3,5,6-tetramethylphenyl]aniline
CID 142154386
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
3-bromo-N-(4-methoxybutyl)-4-methylaniline
CID 115776882
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline (CID 57048374) is 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline is COCCNc1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline?
The InChIKey is AVLMIBQTIQZZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-11(13-5-6-14-2)4-3-10(9)8-12/h3-4,7,13H,5-6,8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline?
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline has a molecular weight of 194.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline is sourced from PubChem (CID 57048374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).