3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

C17H19Cl2N — CID 104845376

IUPAC3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-12(11-14-15(18)9-6-10-16(14)19)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyDGPCXGKOJAJGFQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.13
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 104845376) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
PubChem CID104845376
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-12(11-14-15(18)9-6-10-16(14)19)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyDGPCXGKOJAJGFQ-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845341
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
1-(2,6-dichlorophenyl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79052907

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (CID 104845376) is 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is DGPCXGKOJAJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(11-14-15(18)9-6-10-16(14)19)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).