3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride

C10H18Cl2N2 — CID 53484765

IUPAC3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
SMILESC[C@@H](N)c1cccc(N(C)C)c1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-8(11)9-5-4-6-10(7-9)12(2)3;;/h4-8H,11H2,1-3H3;2*1H/t8-;;/m1../s1
InChIKeyCPXYJZKBXLNXSC-YCBDHFTFSA-N
MW237.17 g/mol
LogP2.62
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride

3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride (PubChem CID 53484765) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
PubChem CID53484765
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC Name3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
SMILESC[C@@H](N)c1cccc(N(C)C)c1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-8(11)9-5-4-6-10(7-9)12(2)3;;/h4-8H,11H2,1-3H3;2*1H/t8-;;/m1../s1
InChIKeyCPXYJZKBXLNXSC-YCBDHFTFSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 63369861

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride (CID 53484765) is 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride is C[C@@H](N)c1cccc(N(C)C)c1.Cl.Cl.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride?
The InChIKey is CPXYJZKBXLNXSC-YCBDHFTFSA-N. The full InChI is InChI=1S/C10H16N2.2ClH/c1-8(11)9-5-4-6-10(7-9)12(2)3;;/h4-8H,11H2,1-3H3;2*1H/t8-;;/m1../s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride?
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride has a molecular weight of 237.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 53484765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).