2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol

C14H20ClNO — CID 170868491

IUPAC2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
SMILESNCCc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C14H20ClNO/c15-13-9-12(10-4-2-1-3-5-10)8-11(6-7-16)14(13)17/h8-10,17H,1-7,16H2
InChIKeyHFGOXVXSBMSIEB-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol

2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol (PubChem CID 170868491) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
PubChem CID170868491
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
SMILESNCCc1cc(C2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C14H20ClNO/c15-13-9-12(10-4-2-1-3-5-10)8-11(6-7-16)14(13)17/h8-10,17H,1-7,16H2
InChIKeyHFGOXVXSBMSIEB-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474
2,6-dichloro-4-cyclohexylphenol;phenylmethanamine
CID 70600488
2,6-dichloro-4-cyclohexylphenol;2-(2-hydroxyethylamino)ethanol
CID 70614132
3-chloro-5-cyclohexyl-2-hydroxybenzoic acid
CID 20521551
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
4-cyclooctyl-2,6-difluorophenol
CID 151133055
2,6-diamino-4-cyclohexylphenol
CID 12501819
1,3,5-tricyclopentylbenzene
CID 611596
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
4-cyclohexyl-2-[[5-cyclohexyl-2-hydroxy-3-(hydroxymethyl)phenyl]disulfanyl]-6-(hydroxymethyl)phenol
CID 71319383
3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride
CID 21296938

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol?
The IUPAC name of 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol (CID 170868491) is 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol?
The canonical SMILES for 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol is NCCc1cc(C2CCCCC2)cc(Cl)c1O.
What is the InChIKey of 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol?
The InChIKey is HFGOXVXSBMSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-9-12(10-4-2-1-3-5-10)8-11(6-7-16)14(13)17/h8-10,17H,1-7,16H2.
What are the key properties of 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol?
2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol has a molecular weight of 253.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol is sourced from PubChem (CID 170868491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).