4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline

C17H20Cl2N2 — CID 66658670

IUPAC4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline
SMILESCCc1cc(Cc2cc(CC)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C17H20Cl2N2/c1-3-10-5-12(14(18)8-16(10)20)7-13-6-11(4-2)17(21)9-15(13)19/h5-6,8-9H,3-4,7,20-21H2,1-2H3
InChIKeyVDDSHSFHWANALI-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.87
Rot. Bonds4

About 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline

4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline (PubChem CID 66658670) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline.

Molecular Properties

Compound Name4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline
PubChem CID66658670
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline
SMILESCCc1cc(Cc2cc(CC)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C17H20Cl2N2/c1-3-10-5-12(14(18)8-16(10)20)7-13-6-11(4-2)17(21)9-15(13)19/h5-6,8-9H,3-4,7,20-21H2,1-2H3
InChIKeyVDDSHSFHWANALI-UHFFFAOYSA-N
XLogP4.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline?
The IUPAC name of 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline (CID 66658670) is 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline.
What is the SMILES notation for 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline?
The canonical SMILES for 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline is CCc1cc(Cc2cc(CC)c(N)cc2Cl)c(Cl)cc1N.
What is the InChIKey of 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline?
The InChIKey is VDDSHSFHWANALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-3-10-5-12(14(18)8-16(10)20)7-13-6-11(4-2)17(21)9-15(13)19/h5-6,8-9H,3-4,7,20-21H2,1-2H3.
What are the key properties of 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline?
4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline has a molecular weight of 323.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline is sourced from PubChem (CID 66658670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).