4-[(1R)-1-aminoethyl]-N,N-dimethylaniline

C10H16N2 — CID 14341957

IUPAC4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
SMILESC[C@@H](N)c1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N2/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-8H,11H2,1-3H3/t8-/m1/s1
InChIKeyVDOKYXHLVQGSJQ-MRVPVSSYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds2

About 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline

4-[(1R)-1-aminoethyl]-N,N-dimethylaniline (PubChem CID 14341957) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
PubChem CID14341957
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
SMILESC[C@@H](N)c1ccc(N(C)C)cc1
InChIInChI=1S/C10H16N2/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-8H,11H2,1-3H3/t8-/m1/s1
InChIKeyVDOKYXHLVQGSJQ-MRVPVSSYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
4-(3-amino-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79299472
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
4-[(1R)-1-aminoethyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 78934960
4-(1-amino-5-methylhexyl)-N,N-dimethylaniline
CID 105177155
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline (CID 14341957) is 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline is C[C@@H](N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline?
The InChIKey is VDOKYXHLVQGSJQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(11)9-4-6-10(7-5-9)12(2)3/h4-8H,11H2,1-3H3/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N,N-dimethylaniline?
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline has a molecular weight of 164.25 g/mol, XLogP of 1.77, 2 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,N-dimethylaniline is sourced from PubChem (CID 14341957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).