N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline

C19H23Cl2NO — CID 54796195

IUPACN-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
SMILESCC(CNc1ccc(Cl)cc1Cl)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23Cl2NO/c1-13(12-22-18-10-7-15(20)11-17(18)21)23-16-8-5-14(6-9-16)19(2,3)4/h5-11,13,22H,12H2,1-4H3
InChIKeyMQGJWYFQBOMOAH-UHFFFAOYSA-N
MW352.31 g/mol
LogP6.17
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline

N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline (PubChem CID 54796195) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
PubChem CID54796195
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC NameN-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
SMILESCC(CNc1ccc(Cl)cc1Cl)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23Cl2NO/c1-13(12-22-18-10-7-15(20)11-17(18)21)23-16-8-5-14(6-9-16)19(2,3)4/h5-11,13,22H,12H2,1-4H3
InChIKeyMQGJWYFQBOMOAH-UHFFFAOYSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
CID 23963536
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801086

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline?
The IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline (CID 54796195) is N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline is CC(CNc1ccc(Cl)cc1Cl)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline?
The InChIKey is MQGJWYFQBOMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-13(12-22-18-10-7-15(20)11-17(18)21)23-16-8-5-14(6-9-16)19(2,3)4/h5-11,13,22H,12H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline?
N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline has a molecular weight of 352.31 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline is sourced from PubChem (CID 54796195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).