2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine

C18H21Cl2N — CID 63521754

IUPAC2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C
InChIInChI=1S/C18H21Cl2N/c1-13-5-3-4-6-16(13)10-15(12-21-2)9-14-7-8-17(19)18(20)11-14/h3-8,11,15,21H,9-10,12H2,1-2H3
InChIKeyFJANAORQZFWEGB-UHFFFAOYSA-N
MW322.28 g/mol
LogP4.92
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine

2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 63521754) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID63521754
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C
InChIInChI=1S/C18H21Cl2N/c1-13-5-3-4-6-16(13)10-15(12-21-2)9-14-7-8-17(19)18(20)11-14/h3-8,11,15,21H,9-10,12H2,1-2H3
InChIKeyFJANAORQZFWEGB-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
4-[2-bromo-4-(2-methylphenyl)butyl]-1,2-dichlorobenzene
CID 63530266
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 104810519

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine (CID 63521754) is 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine is CNCC(Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is FJANAORQZFWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-13-5-3-4-6-16(13)10-15(12-21-2)9-14-7-8-17(19)18(20)11-14/h3-8,11,15,21H,9-10,12H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 63521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).