N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline

C15H15Cl2N — CID 29298509

IUPACN-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2N/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9,18H,2,10H2,1H3
InChIKeyFXNWWZRLWOQAPB-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.17
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline

N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline (PubChem CID 29298509) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
PubChem CID29298509
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2N/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9,18H,2,10H2,1H3
InChIKeyFXNWWZRLWOQAPB-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline (CID 29298509) is N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline is CCc1cccc(NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline?
The InChIKey is FXNWWZRLWOQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-2-11-4-3-5-13(8-11)18-10-12-6-7-14(16)15(17)9-12/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline?
N-[(3,4-dichlorophenyl)methyl]-3-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-[(3,4-dichlorophenyl)methyl]-3-ethylaniline is sourced from PubChem (CID 29298509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).