2,6-dichloro-4-cyclohexylphenol;phenylmethanamine

C19H23Cl2NO — CID 70600488

IUPAC2,6-dichloro-4-cyclohexylphenol;phenylmethanamine
SMILESNCc1ccccc1.Oc1c(Cl)cc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl2O.C7H9N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7/h6-8,15H,1-5H2;1-5H,6,8H2
InChIKeyPGWHTABXVJPVPM-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.89
Rot. Bonds2

About 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine

2,6-dichloro-4-cyclohexylphenol;phenylmethanamine (PubChem CID 70600488) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine.

Molecular Properties

Compound Name2,6-dichloro-4-cyclohexylphenol;phenylmethanamine
PubChem CID70600488
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name2,6-dichloro-4-cyclohexylphenol;phenylmethanamine
SMILESNCc1ccccc1.Oc1c(Cl)cc(C2CCCCC2)cc1Cl
InChIInChI=1S/C12H14Cl2O.C7H9N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7/h6-8,15H,1-5H2;1-5H,6,8H2
InChIKeyPGWHTABXVJPVPM-UHFFFAOYSA-N
XLogP5.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
CID 170868491
2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
CID 70614132
(4-cyclohexylphenyl)methanamine
CID 22246867
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
CID 20521551
cycloheptanamine;phenylmethanamine
CID 162192852
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
(3-cycloheptylphenyl)methanol
CID 84672634
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
2,6-diamino-4-cyclohexylphenol
CID 12501819
phenylmethanamine
CID 19864074
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine?
The IUPAC name of 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine (CID 70600488) is 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine.
What is the SMILES notation for 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine?
The canonical SMILES for 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine is NCc1ccccc1.Oc1c(Cl)cc(C2CCCCC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine?
The InChIKey is PGWHTABXVJPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O.C7H9N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7/h6-8,15H,1-5H2;1-5H,6,8H2.
What are the key properties of 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine?
2,6-dichloro-4-cyclohexylphenol;phenylmethanamine has a molecular weight of 352.31 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-cyclohexylphenol;phenylmethanamine is sourced from PubChem (CID 70600488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).