3-[1-(2,4-dichlorophenyl)propylamino]phenol

C15H15Cl2NO — CID 43503411

IUPAC3-[1-(2,4-dichlorophenyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-15(13-7-6-10(16)8-14(13)17)18-11-4-3-5-12(19)9-11/h3-9,15,18-19H,2H2,1H3
InChIKeyYOUQDPGSWWTAGB-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.26
Rot. Bonds4

About 3-[1-(2,4-dichlorophenyl)propylamino]phenol

3-[1-(2,4-dichlorophenyl)propylamino]phenol (PubChem CID 43503411) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)propylamino]phenol.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)propylamino]phenol
PubChem CID43503411
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-[1-(2,4-dichlorophenyl)propylamino]phenol
SMILESCCC(Nc1cccc(O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-15(13-7-6-10(16)8-14(13)17)18-11-4-3-5-12(19)9-11/h3-9,15,18-19H,2H2,1H3
InChIKeyYOUQDPGSWWTAGB-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

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Related Compounds

2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]phenol?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]phenol (CID 43503411) is 3-[1-(2,4-dichlorophenyl)propylamino]phenol.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)propylamino]phenol?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)propylamino]phenol is CCC(Nc1cccc(O)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)propylamino]phenol?
The InChIKey is YOUQDPGSWWTAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-15(13-7-6-10(16)8-14(13)17)18-11-4-3-5-12(19)9-11/h3-9,15,18-19H,2H2,1H3.
What are the key properties of 3-[1-(2,4-dichlorophenyl)propylamino]phenol?
3-[1-(2,4-dichlorophenyl)propylamino]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 3-[1-(2,4-dichlorophenyl)propylamino]phenol is sourced from PubChem (CID 43503411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).