1-(3,4-dichlorophenyl)-N,N-dimethylethanamine

C10H13Cl2N — CID 116914680

IUPAC1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C10H13Cl2N/c1-7(13(2)3)8-4-5-9(11)10(12)6-8/h4-7H,1-3H3
InChIKeyIUCNCZSIZLTSFY-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.62
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine

1-(3,4-dichlorophenyl)-N,N-dimethylethanamine (PubChem CID 116914680) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
PubChem CID116914680
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C10H13Cl2N/c1-7(13(2)3)8-4-5-9(11)10(12)6-8/h4-7H,1-3H3
InChIKeyIUCNCZSIZLTSFY-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
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1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
CID 87727172
CID 87727172
2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
CID 116908705
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
CID 71239032
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine (CID 116914680) is 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine is CC(c1ccc(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The InChIKey is IUCNCZSIZLTSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-7(13(2)3)8-4-5-9(11)10(12)6-8/h4-7H,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine has a molecular weight of 218.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).