N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline

C19H23Cl2NO3 — CID 54801144

IUPACN-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2NO3/c1-3-23-10-11-24-17-7-5-16(6-8-17)22-13-14(2)25-19-9-4-15(20)12-18(19)21/h4-9,12,14,22H,3,10-11,13H2,1-2H3
InChIKeyDBKSMSOXIODECE-UHFFFAOYSA-N
MW384.30 g/mol
LogP5.29
Rot. Bonds10

About N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline

N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline (PubChem CID 54801144) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
PubChem CID54801144
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC NameN-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
SMILESCCOCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2NO3/c1-3-23-10-11-24-17-7-5-16(6-8-17)22-13-14(2)25-19-9-4-15(20)12-18(19)21/h4-9,12,14,22H,3,10-11,13H2,1-2H3
InChIKeyDBKSMSOXIODECE-UHFFFAOYSA-N
XLogP5.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.30
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
CID 54799235
N-[2-(2,4-dichlorophenoxy)propyl]-4-hexoxyaniline
CID 54798821
N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801086
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N-[4-(2,4-dichlorophenoxy)butyl]-3-(2-ethoxyethoxy)aniline
CID 54801755
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
CID 23963536
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline (CID 54801144) is N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline is CCOCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline?
The InChIKey is DBKSMSOXIODECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3/c1-3-23-10-11-24-17-7-5-16(6-8-17)22-13-14(2)25-19-9-4-15(20)12-18(19)21/h4-9,12,14,22H,3,10-11,13H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline?
N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline has a molecular weight of 384.30 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline is sourced from PubChem (CID 54801144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).