4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride

C20H26ClNO — CID 44531466

IUPAC4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2ccccc2)cc1CNC1CCCCC1
InChIInChI=1S/C20H25NO.ClH/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19;/h1,3-4,7-8,11-12,14,19,21-22H,2,5-6,9-10,13,15H2;1H
InChIKeyVISHXLJIWGEYOC-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.83
Rot. Bonds5

About 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride

4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride (PubChem CID 44531466) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride
PubChem CID44531466
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2ccccc2)cc1CNC1CCCCC1
InChIInChI=1S/C20H25NO.ClH/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19;/h1,3-4,7-8,11-12,14,19,21-22H,2,5-6,9-10,13,15H2;1H
InChIKeyVISHXLJIWGEYOC-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.83
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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Related Compounds

2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
benzene;N-benzylcyclohexanamine
CID 142622843
1-[4-[3-[(cyclohexylamino)methyl]-4-hydroxyphenyl]phenyl]ethanone
CID 143520117
2-[(cyclohexylamino)methyl]-4-pyridin-3-ylphenol
CID 42424481
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
3-[(cyclobutylamino)methyl]phenol
CID 62416890
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
2-[(cyclohexylamino)methyl]-6-phenylphenol
CID 138615262

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride?
The IUPAC name of 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride (CID 44531466) is 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride?
The canonical SMILES for 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride is Cl.Oc1ccc(Cc2ccccc2)cc1CNC1CCCCC1.
What is the InChIKey of 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride?
The InChIKey is VISHXLJIWGEYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19;/h1,3-4,7-8,11-12,14,19,21-22H,2,5-6,9-10,13,15H2;1H.
What are the key properties of 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride?
4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(cyclohexylamino)methyl]phenol;hydrochloride is sourced from PubChem (CID 44531466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).