4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline

C12H20N2O — CID 61427308

IUPAC4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H20N2O/c1-10(13)11-4-6-12(7-5-11)14(2)8-9-15-3/h4-7,10H,8-9,13H2,1-3H3
InChIKeyKZNAHWQWHSVUMX-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds5

About 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline

4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline (PubChem CID 61427308) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
PubChem CID61427308
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
SMILESCOCCN(C)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H20N2O/c1-10(13)11-4-6-12(7-5-11)14(2)8-9-15-3/h4-7,10H,8-9,13H2,1-3H3
InChIKeyKZNAHWQWHSVUMX-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
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-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
2-[4-[2-methoxyethyl(methyl)amino]phenyl]propanal
CID 174422036
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
3-[4-[(1R)-1-aminoethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 55191198
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 78934960

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline (CID 61427308) is 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline is COCCN(C)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline?
The InChIKey is KZNAHWQWHSVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(13)11-4-6-12(7-5-11)14(2)8-9-15-3/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline?
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline has a molecular weight of 208.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline is sourced from PubChem (CID 61427308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).