2,6-dichloro-4-(cycloheptylmethylamino)phenol

C14H19Cl2NO — CID 107678839

IUPAC2,6-dichloro-4-(cycloheptylmethylamino)phenol
SMILESOc1c(Cl)cc(NCC2CCCCCC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c15-12-7-11(8-13(16)14(12)18)17-9-10-5-3-1-2-4-6-10/h7-8,10,17-18H,1-6,9H2
InChIKeyCOYUGXOIUWWFII-UHFFFAOYSA-N
MW288.22 g/mol
LogP5.08
Rot. Bonds3

About 2,6-dichloro-4-(cycloheptylmethylamino)phenol

2,6-dichloro-4-(cycloheptylmethylamino)phenol (PubChem CID 107678839) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-4-(cycloheptylmethylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(cycloheptylmethylamino)phenol
PubChem CID107678839
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,6-dichloro-4-(cycloheptylmethylamino)phenol
SMILESOc1c(Cl)cc(NCC2CCCCCC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO/c15-12-7-11(8-13(16)14(12)18)17-9-10-5-3-1-2-4-6-10/h7-8,10,17-18H,1-6,9H2
InChIKeyCOYUGXOIUWWFII-UHFFFAOYSA-N
XLogP5.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.22
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(cycloheptylmethylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
CID 107364208
4-(cyclooctylmethylamino)phenol
CID 53404225
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
CID 43082566
5-(cycloheptylmethylamino)-2-methylphenol
CID 107699720
2-chloro-4-(cyclobutylmethylamino)benzenecarbothioamide
CID 62947448
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(cycloheptylmethylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(cycloheptylmethylamino)phenol (CID 107678839) is 2,6-dichloro-4-(cycloheptylmethylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(cycloheptylmethylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(cycloheptylmethylamino)phenol is Oc1c(Cl)cc(NCC2CCCCCC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(cycloheptylmethylamino)phenol?
The InChIKey is COYUGXOIUWWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-12-7-11(8-13(16)14(12)18)17-9-10-5-3-1-2-4-6-10/h7-8,10,17-18H,1-6,9H2.
What are the key properties of 2,6-dichloro-4-(cycloheptylmethylamino)phenol?
2,6-dichloro-4-(cycloheptylmethylamino)phenol has a molecular weight of 288.22 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(cycloheptylmethylamino)phenol is sourced from PubChem (CID 107678839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).