2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol

C16H15Cl2NO — CID 107678521

IUPAC2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-12-3-1-10(2-4-12)11-7-14(8-11)19-13-5-6-16(20)15(18)9-13/h1-6,9,11,14,19-20H,7-8H2
InChIKeyJMPLCGPQNBKRMH-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.06
Rot. Bonds3

About 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol

2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol (PubChem CID 107678521) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol
PubChem CID107678521
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol
SMILESOc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-12-3-1-10(2-4-12)11-7-14(8-11)19-13-5-6-16(20)15(18)9-13/h1-6,9,11,14,19-20H,7-8H2
InChIKeyJMPLCGPQNBKRMH-UHFFFAOYSA-N
XLogP5.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)cyclobutyl]-3-iodo-4-methylaniline
CID 43716337
2-fluoro-4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
CID 64795009
N-[3-(4-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635060
3-chloro-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632833
N-[3-(4-chlorophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687886
N-[3-(4-chlorophenyl)cyclobutyl]-2,4,5-trifluoroaniline
CID 63478390
2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
CID 65470101
N-[3-(4-chlorophenyl)cyclobutyl]-3-nitroaniline
CID 43718063
5-[[3-(4-chlorophenyl)cyclobutyl]amino]-1-methylpyridin-2-one
CID 60932166
2,5-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]-4-methylaniline
CID 104726394
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol?
The IUPAC name of 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol (CID 107678521) is 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol.
What is the SMILES notation for 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol?
The canonical SMILES for 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol is Oc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol?
The InChIKey is JMPLCGPQNBKRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-12-3-1-10(2-4-12)11-7-14(8-11)19-13-5-6-16(20)15(18)9-13/h1-6,9,11,14,19-20H,7-8H2.
What are the key properties of 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol?
2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol has a molecular weight of 308.21 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(4-chlorophenyl)cyclobutyl]amino]phenol is sourced from PubChem (CID 107678521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).