2-(1-aminopropyl)-N-ethyl-N-methylaniline

C12H20N2 — CID 23460228

IUPAC2-(1-aminopropyl)-N-ethyl-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)CC
InChIInChI=1S/C12H20N2/c1-4-11(13)10-8-6-7-9-12(10)14(3)5-2/h6-9,11H,4-5,13H2,1-3H3
InChIKeyPGNWCSXNYMBBGB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.55
Rot. Bonds4

About 2-(1-aminopropyl)-N-ethyl-N-methylaniline

2-(1-aminopropyl)-N-ethyl-N-methylaniline (PubChem CID 23460228) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-ethyl-N-methylaniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-ethyl-N-methylaniline
PubChem CID23460228
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(1-aminopropyl)-N-ethyl-N-methylaniline
SMILESCCC(N)c1ccccc1N(C)CC
InChIInChI=1S/C12H20N2/c1-4-11(13)10-8-6-7-9-12(10)14(3)5-2/h6-9,11H,4-5,13H2,1-3H3
InChIKeyPGNWCSXNYMBBGB-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminopropyl)-N-ethyl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415190
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-ethyl-N-methylaniline?
The IUPAC name of 2-(1-aminopropyl)-N-ethyl-N-methylaniline (CID 23460228) is 2-(1-aminopropyl)-N-ethyl-N-methylaniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-ethyl-N-methylaniline?
The canonical SMILES for 2-(1-aminopropyl)-N-ethyl-N-methylaniline is CCC(N)c1ccccc1N(C)CC.
What is the InChIKey of 2-(1-aminopropyl)-N-ethyl-N-methylaniline?
The InChIKey is PGNWCSXNYMBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(13)10-8-6-7-9-12(10)14(3)5-2/h6-9,11H,4-5,13H2,1-3H3.
What are the key properties of 2-(1-aminopropyl)-N-ethyl-N-methylaniline?
2-(1-aminopropyl)-N-ethyl-N-methylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-ethyl-N-methylaniline is sourced from PubChem (CID 23460228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).