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

C16H17Cl2N — CID 66479018

IUPACN-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2N/c1-3-19-10-12-7-8-13(11(2)9-12)14-5-4-6-15(17)16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyDFUUIUUFKNEPTE-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.08
Rot. Bonds4

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

N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine (PubChem CID 66479018) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
PubChem CID66479018
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C16H17Cl2N/c1-3-19-10-12-7-8-13(11(2)9-12)14-5-4-6-15(17)16(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyDFUUIUUFKNEPTE-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N-[[4-(4-bromophenyl)-3-methylphenyl]methyl]ethanamine
CID 66479837
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[3-chloro-4-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 114076799
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine (CID 66479018) is N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc(Cl)c2Cl)c(C)c1.
What is the InChIKey of N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is DFUUIUUFKNEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-19-10-12-7-8-13(11(2)9-12)14-5-4-6-15(17)16(14)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 294.23 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dichlorophenyl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 66479018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).