N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline

C15H15Cl2N — CID 54920225

IUPACN-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-2-12-5-3-4-6-15(12)18-10-11-7-13(16)9-14(17)8-11/h3-9,18H,2,10H2,1H3
InChIKeyZVMTUZBNXIYBDP-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.17
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline

N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline (PubChem CID 54920225) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
PubChem CID54920225
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-2-12-5-3-4-6-15(12)18-10-11-7-13(16)9-14(17)8-11/h3-9,18H,2,10H2,1H3
InChIKeyZVMTUZBNXIYBDP-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(3-bromo-5-nitrophenyl)methyl]-2-ethylaniline
CID 103350508
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-ethylaniline
CID 126122856
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline (CID 54920225) is N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline?
The InChIKey is ZVMTUZBNXIYBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-2-12-5-3-4-6-15(12)18-10-11-7-13(16)9-14(17)8-11/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline?
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 54920225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).