2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol

C15H21Cl2NO — CID 107679381

IUPAC2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
SMILESCC(C)C1CCC(Nc2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2NO/c1-9(2)10-3-5-11(6-4-10)18-12-7-13(16)15(19)14(17)8-12/h7-11,18-19H,3-6H2,1-2H3
InChIKeyKCMXGCHITJQJTB-UHFFFAOYSA-N
MW302.25 g/mol
LogP5.33
Rot. Bonds3

About 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol

2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol (PubChem CID 107679381) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
PubChem CID107679381
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
SMILESCC(C)C1CCC(Nc2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2NO/c1-9(2)10-3-5-11(6-4-10)18-12-7-13(16)15(19)14(17)8-12/h7-11,18-19H,3-6H2,1-2H3
InChIKeyKCMXGCHITJQJTB-UHFFFAOYSA-N
XLogP5.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.25
LogP ≤ 55.33
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

2,6-dichloro-4-(cyclobutylamino)phenol
CID 107679292
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
2,6-dichloro-4-(thiolan-3-ylamino)phenol
CID 107678926
2,6-dichloro-4-(spiro[4.5]decan-8-ylamino)phenol
CID 107679413
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 82864304
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
CID 107678851
N-(4-propan-2-ylcyclohexyl)pyrimidin-5-amine
CID 107588222
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol (CID 107679381) is 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol is CC(C)C1CCC(Nc2cc(Cl)c(O)c(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol?
The InChIKey is KCMXGCHITJQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-9(2)10-3-5-11(6-4-10)18-12-7-13(16)15(19)14(17)8-12/h7-11,18-19H,3-6H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol?
2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol has a molecular weight of 302.25 g/mol, XLogP of 5.33, 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-[(4-propan-2-ylcyclohexyl)amino]phenol is sourced from PubChem (CID 107679381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).