2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

C18H21Cl2N — CID 63415582

IUPAC2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3
InChIKeyQZQPSJHKLNBEFR-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.50
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 63415582) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID63415582
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3
InChIKeyQZQPSJHKLNBEFR-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755126
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 63528155
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (CID 63415582) is 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is QZQPSJHKLNBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63415582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).