N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine

C17H19Cl2N — CID 63449103

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H19Cl2N/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyYPRLYSIETCZTHS-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.46
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine

N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 63449103) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID63449103
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H19Cl2N/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyYPRLYSIETCZTHS-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 81436820
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43206318
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
[2-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105210812
N-[(4-methylphenyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43103422
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (CID 63449103) is N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is YPRLYSIETCZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 63449103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).