1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine

C17H19Cl2N — CID 173298108

IUPAC1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
SMILESCC(Cc1ccc(-c2cccc(Cl)c2Cl)cc1)N(C)C
InChIInChI=1S/C17H19Cl2N/c1-12(20(2)3)11-13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12H,11H2,1-3H3
InChIKeyYUZJISRJSUZZFE-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.15
Rot. Bonds4

About 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine

1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine (PubChem CID 173298108) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
PubChem CID173298108
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
SMILESCC(Cc1ccc(-c2cccc(Cl)c2Cl)cc1)N(C)C
InChIInChI=1S/C17H19Cl2N/c1-12(20(2)3)11-13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12H,11H2,1-3H3
InChIKeyYUZJISRJSUZZFE-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
CID 172733378
CID 172733378
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866
4-[4-(2-chlorophenyl)phenyl]-3-methylbutanoic acid
CID 82543182
1-[2-(2,3-dichlorophenyl)phenyl]propan-2-ol
CID 175278361
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
N-[[5-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-N-ethylethanamine
CID 46158172

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine (CID 173298108) is 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine is CC(Cc1ccc(-c2cccc(Cl)c2Cl)cc1)N(C)C.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is YUZJISRJSUZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(20(2)3)11-13-7-9-14(10-8-13)15-5-4-6-16(18)17(15)19/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine?
1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 308.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 173298108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).