4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline

C13H22N2 — CID 78936154

IUPAC4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc([C@@H](C)N)cc1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-15(10(2)3)13-8-6-12(7-9-13)11(4)14/h6-11H,5,14H2,1-4H3/t11-/m1/s1
InChIKeyCXHLQLMZWYOXJV-LLVKDONJSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline

4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline (PubChem CID 78936154) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
PubChem CID78936154
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc([C@@H](C)N)cc1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-15(10(2)3)13-8-6-12(7-9-13)11(4)14/h6-11H,5,14H2,1-4H3/t11-/m1/s1
InChIKeyCXHLQLMZWYOXJV-LLVKDONJSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline 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

4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
CID 43188769
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline
CID 114066010
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
CID 55188530
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935285
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline (CID 78936154) is 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline is CCN(c1ccc([C@@H](C)N)cc1)C(C)C.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline?
The InChIKey is CXHLQLMZWYOXJV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-15(10(2)3)13-8-6-12(7-9-13)11(4)14/h6-11H,5,14H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline?
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 78936154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).