2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine

C17H19Cl2N — CID 107309633

IUPAC2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(18)17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyZBPJARQJPLOXNM-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.61
Rot. Bonds6

About 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine

2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine (PubChem CID 107309633) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
PubChem CID107309633
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(18)17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyZBPJARQJPLOXNM-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
CID 62529664
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 63521754
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine (CID 107309633) is 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine?
The InChIKey is ZBPJARQJPLOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(18)17(15)19/h2-9,14,20H,10-12H2,1H3.
What are the key properties of 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine?
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 107309633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).