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

C18H21Cl2N — CID 63412977

IUPAC1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2ccc(Cl)cc2Cl)NC)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-13-4-6-14(7-5-13)10-17(21-2)11-15-8-9-16(19)12-18(15)20/h4-9,12,17,21H,3,10-11H2,1-2H3
InChIKeyCOYBDKJOWDSZJJ-UHFFFAOYSA-N
MW322.28 g/mol
LogP4.93
Rot. Bonds6

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

1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine (PubChem CID 63412977) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
PubChem CID63412977
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
SMILESCCc1ccc(CC(Cc2ccc(Cl)cc2Cl)NC)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-13-4-6-14(7-5-13)10-17(21-2)11-15-8-9-16(19)12-18(15)20/h4-9,12,17,21H,3,10-11H2,1-2H3
InChIKeyCOYBDKJOWDSZJJ-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824685
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine (CID 63412977) is 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine is CCc1ccc(CC(Cc2ccc(Cl)cc2Cl)NC)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
The InChIKey is COYBDKJOWDSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-13-4-6-14(7-5-13)10-17(21-2)11-15-8-9-16(19)12-18(15)20/h4-9,12,17,21H,3,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine?
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 63412977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).