2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol

C24H42N2O — CID 130247611

IUPAC2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol
SMILESCCCCc1cc(CCCC)c(O)c(CN(C)[C@@H]2CCCC[C@H]2N(C)C)c1
InChIInChI=1S/C24H42N2O/c1-6-8-12-19-16-20(13-9-7-2)24(27)21(17-19)18-26(5)23-15-11-10-14-22(23)25(3)4/h16-17,22-23,27H,6-15,18H2,1-5H3/t22-,23-/m1/s1
InChIKeyPZYGYFNAXMCNPM-DHIUTWEWSA-N
MW374.61 g/mol
LogP5.38
Rot. Bonds10

About 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol

2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol (PubChem CID 130247611) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol
PubChem CID130247611
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol
SMILESCCCCc1cc(CCCC)c(O)c(CN(C)[C@@H]2CCCC[C@H]2N(C)C)c1
InChIInChI=1S/C24H42N2O/c1-6-8-12-19-16-20(13-9-7-2)24(27)21(17-19)18-26(5)23-15-11-10-14-22(23)25(3)4/h16-17,22-23,27H,6-15,18H2,1-5H3/t22-,23-/m1/s1
InChIKeyPZYGYFNAXMCNPM-DHIUTWEWSA-N
XLogP5.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]-4-nitrophenol
CID 130249224
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2,4,6-triheptylphenol
CID 139692303
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-butyl-4-ethyl-6-propylphenol
CID 66988794
2-[[bis(2-methylpropyl)amino]methyl]-4,6-di(nonyl)phenol
CID 23346787

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol?
The IUPAC name of 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol (CID 130247611) is 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol.
What is the SMILES notation for 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol?
The canonical SMILES for 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol is CCCCc1cc(CCCC)c(O)c(CN(C)[C@@H]2CCCC[C@H]2N(C)C)c1.
What is the InChIKey of 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol?
The InChIKey is PZYGYFNAXMCNPM-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H42N2O/c1-6-8-12-19-16-20(13-9-7-2)24(27)21(17-19)18-26(5)23-15-11-10-14-22(23)25(3)4/h16-17,22-23,27H,6-15,18H2,1-5H3/t22-,23-/m1/s1.
What are the key properties of 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol?
2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol has a molecular weight of 374.61 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-6-[[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]methyl]phenol is sourced from PubChem (CID 130247611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).