4-[(cyclohexylamino)methyl]phenol;hydrochloride

C13H20ClNO — CID 2939085

IUPAC4-[(cyclohexylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C13H19NO.ClH/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12;/h6-9,12,14-15H,1-5,10H2;1H
InChIKeyMFMZWURCFIWBIR-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.24
Rot. Bonds3

About 4-[(cyclohexylamino)methyl]phenol;hydrochloride

4-[(cyclohexylamino)methyl]phenol;hydrochloride (PubChem CID 2939085) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]phenol;hydrochloride
PubChem CID2939085
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[(cyclohexylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C13H19NO.ClH/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12;/h6-9,12,14-15H,1-5,10H2;1H
InChIKeyMFMZWURCFIWBIR-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]phenol;hydrochloride?
The IUPAC name of 4-[(cyclohexylamino)methyl]phenol;hydrochloride (CID 2939085) is 4-[(cyclohexylamino)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]phenol;hydrochloride?
The canonical SMILES for 4-[(cyclohexylamino)methyl]phenol;hydrochloride is Cl.Oc1ccc(CNC2CCCCC2)cc1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]phenol;hydrochloride?
The InChIKey is MFMZWURCFIWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12;/h6-9,12,14-15H,1-5,10H2;1H.
What are the key properties of 4-[(cyclohexylamino)methyl]phenol;hydrochloride?
4-[(cyclohexylamino)methyl]phenol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]phenol;hydrochloride is sourced from PubChem (CID 2939085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).