1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine

C18H21Cl2N — CID 63415497

IUPAC1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-12-4-5-14(8-13(12)2)9-16(21-3)10-15-6-7-17(19)18(20)11-15/h4-8,11,16,21H,9-10H2,1-3H3
InChIKeyOYBXLWBPGKTCSZ-UHFFFAOYSA-N
MW322.28 g/mol
LogP4.98
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine

1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine (PubChem CID 63415497) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
PubChem CID63415497
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-12-4-5-14(8-13(12)2)9-16(21-3)10-15-6-7-17(19)18(20)11-15/h4-8,11,16,21H,9-10H2,1-3H3
InChIKeyOYBXLWBPGKTCSZ-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine (CID 63415497) is 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(C)c(C)c1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The InChIKey is OYBXLWBPGKTCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-12-4-5-14(8-13(12)2)9-16(21-3)10-15-6-7-17(19)18(20)11-15/h4-8,11,16,21H,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63415497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).