3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline

C17H20Cl2N2 — CID 82140058

IUPAC3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(CN)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H20Cl2N2/c1-21(2)15-5-3-4-13(10-15)14(11-20)8-12-6-7-16(18)17(19)9-12/h3-7,9-10,14H,8,11,20H2,1-2H3
InChIKeyGKIVYSZUVXYZIP-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.34
Rot. Bonds5

About 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline

3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline (PubChem CID 82140058) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline
PubChem CID82140058
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(CN)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H20Cl2N2/c1-21(2)15-5-3-4-13(10-15)14(11-20)8-12-6-7-16(18)17(19)9-12/h3-7,9-10,14H,8,11,20H2,1-2H3
InChIKeyGKIVYSZUVXYZIP-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-amino-2-(2,6-dichlorophenyl)propyl]-N,N-dimethylaniline
CID 82141225
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide
CID 82139162
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
4-[3-amino-2-(3,4-dichlorophenyl)propyl]benzoic acid
CID 82139713
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline (CID 82140058) is 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline is CN(C)c1cccc(C(CN)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline?
The InChIKey is GKIVYSZUVXYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-21(2)15-5-3-4-13(10-15)14(11-20)8-12-6-7-16(18)17(19)9-12/h3-7,9-10,14H,8,11,20H2,1-2H3.
What are the key properties of 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline?
3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline has a molecular weight of 323.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-3-(3,4-dichlorophenyl)propan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82140058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).