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

C19H23Cl2NO2 — CID 54799235

IUPAC4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
SMILESCCCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2NO2/c1-3-4-11-23-17-8-6-16(7-9-17)22-13-14(2)24-19-10-5-15(20)12-18(19)21/h5-10,12,14,22H,3-4,11,13H2,1-2H3
InChIKeyRMMOZLZALPUKSJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP6.05
Rot. Bonds9

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

4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline (PubChem CID 54799235) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline.

Molecular Properties

Compound Name4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
PubChem CID54799235
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
SMILESCCCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2NO2/c1-3-4-11-23-17-8-6-16(7-9-17)22-13-14(2)24-19-10-5-15(20)12-18(19)21/h5-10,12,14,22H,3-4,11,13H2,1-2H3
InChIKeyRMMOZLZALPUKSJ-UHFFFAOYSA-N
XLogP6.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(2,4-dichlorophenoxy)propyl]-4-hexoxyaniline
CID 54798821
N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
CID 54801144
N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801086
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
4-butoxy-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline
CID 54799222
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872
4-hexoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54798778
N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
CID 23963536
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
[4-[[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3481397

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline?
The IUPAC name of 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline (CID 54799235) is 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline.
What is the SMILES notation for 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline?
The canonical SMILES for 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline is CCCCOc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline?
The InChIKey is RMMOZLZALPUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-3-4-11-23-17-8-6-16(7-9-17)22-13-14(2)24-19-10-5-15(20)12-18(19)21/h5-10,12,14,22H,3-4,11,13H2,1-2H3.
What are the key properties of 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline?
4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline has a molecular weight of 368.30 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline is sourced from PubChem (CID 54799235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).