4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride

C14H21Cl2NO — CID 25163928

IUPAC4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CNCC1CCCCC1
InChIInChI=1S/C14H20ClNO.ClH/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11;/h6-8,11,16-17H,1-5,9-10H2;1H
InChIKeyGBVIKWOVHYRLMB-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride

4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride (PubChem CID 25163928) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
PubChem CID25163928
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CNCC1CCCCC1
InChIInChI=1S/C14H20ClNO.ClH/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11;/h6-8,11,16-17H,1-5,9-10H2;1H
InChIKeyGBVIKWOVHYRLMB-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride?
The IUPAC name of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride (CID 25163928) is 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride is Cl.Oc1ccc(Cl)cc1CNCC1CCCCC1.
What is the InChIKey of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride?
The InChIKey is GBVIKWOVHYRLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11;/h6-8,11,16-17H,1-5,9-10H2;1H.
What are the key properties of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride?
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride is sourced from PubChem (CID 25163928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).