4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride

C20H35ClN2O — CID 54609732

IUPAC4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride
SMILESCN(C)Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O.Cl
InChIInChI=1S/C20H34N2O.ClH/c1-20(2,3)17-11-15(13-21-18-9-7-6-8-10-18)19(23)16(12-17)14-22(4)5;/h11-12,18,21,23H,6-10,13-14H2,1-5H3;1H
InChIKeyMGOSYWNMYFNHQD-UHFFFAOYSA-N
MW354.97 g/mol
LogP4.60
Rot. Bonds5

About 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride

4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride (PubChem CID 54609732) has the molecular formula C20H35ClN2O and a molecular weight of 354.97 g/mol. Its IUPAC name is 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride
PubChem CID54609732
Molecular FormulaC20H35ClN2O
Molecular Weight354.97 g/mol
Exact Mass354.24
IUPAC Name4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride
SMILESCN(C)Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O.Cl
InChIInChI=1S/C20H34N2O.ClH/c1-20(2,3)17-11-15(13-21-18-9-7-6-8-10-18)19(23)16(12-17)14-22(4)5;/h11-12,18,21,23H,6-10,13-14H2,1-5H3;1H
InChIKeyMGOSYWNMYFNHQD-UHFFFAOYSA-N
XLogP4.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.97
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
Bialamicol
CID 10304
LY 231617
CID 3968
Biallylamicol dihydrochlorde
CID 23616896
4,4'-(1-Methylethylidene)bis(2,6-bis((dimethylamino)methyl)phenol
CID 167520
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
2-(1-Azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-hydroxyphenyl]-1-methylethyl}phenol
CID 44460434
GNF-Pf-5310
CID 241056
2-(diethylaminomethyl)-4-[(E)-4-[3-(diethylaminomethyl)-4-hydroxyphenyl]hex-3-en-3-yl]phenol
CID 5473838
4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol
CID 223214
(1,1'-Biphenyl)-4-ol, 3-(1-piperidinylmethyl)-
CID 48128

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride?
The IUPAC name of 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride (CID 54609732) is 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride.
What is the SMILES notation for 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride?
The canonical SMILES for 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride is CN(C)Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O.Cl.
What is the InChIKey of 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride?
The InChIKey is MGOSYWNMYFNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O.ClH/c1-20(2,3)17-11-15(13-21-18-9-7-6-8-10-18)19(23)16(12-17)14-22(4)5;/h11-12,18,21,23H,6-10,13-14H2,1-5H3;1H.
What are the key properties of 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride?
4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride has a molecular weight of 354.97 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol;hydrochloride is sourced from PubChem (CID 54609732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).