2-[1-(3,4-dichloroanilino)propyl]phenol

C15H15Cl2NO — CID 43105604

IUPAC2-[1-(3,4-dichloroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1O
InChIInChI=1S/C15H15Cl2NO/c1-2-14(11-5-3-4-6-15(11)19)18-10-7-8-12(16)13(17)9-10/h3-9,14,18-19H,2H2,1H3
InChIKeyDCJKIJWPKHSUSW-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.26
Rot. Bonds4

About 2-[1-(3,4-dichloroanilino)propyl]phenol

2-[1-(3,4-dichloroanilino)propyl]phenol (PubChem CID 43105604) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[1-(3,4-dichloroanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3,4-dichloroanilino)propyl]phenol
PubChem CID43105604
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-[1-(3,4-dichloroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1O
InChIInChI=1S/C15H15Cl2NO/c1-2-14(11-5-3-4-6-15(11)19)18-10-7-8-12(16)13(17)9-10/h3-9,14,18-19H,2H2,1H3
InChIKeyDCJKIJWPKHSUSW-UHFFFAOYSA-N
XLogP5.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
2-[1-(3,4-dimethylanilino)propyl]phenol
CID 43194157
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2-fluoro-5-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43727906
2-[1-(3-chloro-2-methylanilino)propyl]phenol
CID 43101368
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
2-[1-[4-(difluoromethylsulfanyl)anilino]propyl]phenol
CID 43673094

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichloroanilino)propyl]phenol?
The IUPAC name of 2-[1-(3,4-dichloroanilino)propyl]phenol (CID 43105604) is 2-[1-(3,4-dichloroanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(3,4-dichloroanilino)propyl]phenol?
The canonical SMILES for 2-[1-(3,4-dichloroanilino)propyl]phenol is CCC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1O.
What is the InChIKey of 2-[1-(3,4-dichloroanilino)propyl]phenol?
The InChIKey is DCJKIJWPKHSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-14(11-5-3-4-6-15(11)19)18-10-7-8-12(16)13(17)9-10/h3-9,14,18-19H,2H2,1H3.
What are the key properties of 2-[1-(3,4-dichloroanilino)propyl]phenol?
2-[1-(3,4-dichloroanilino)propyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichloroanilino)propyl]phenol is sourced from PubChem (CID 43105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).