2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol

C25H43NO — CID 142231486

IUPAC2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol
SMILESCC1CCC(CNCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C25H43NO/c1-18-10-12-19(13-11-18)17-26-14-8-9-20-15-21(24(2,3)4)23(27)22(16-20)25(5,6)7/h15-16,18-19,26-27H,8-14,17H2,1-7H3
InChIKeyWSEUAFJMOHONJW-UHFFFAOYSA-N
MW373.63 g/mol
LogP6.34
Rot. Bonds6

About 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol

2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol (PubChem CID 142231486) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol
PubChem CID142231486
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol
SMILESCC1CCC(CNCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C25H43NO/c1-18-10-12-19(13-11-18)17-26-14-8-9-20-15-21(24(2,3)4)23(27)22(16-20)25(5,6)7/h15-16,18-19,26-27H,8-14,17H2,1-7H3
InChIKeyWSEUAFJMOHONJW-UHFFFAOYSA-N
XLogP6.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
CID 121442924
(3,5-ditert-butyl-4-hydroxyphenyl) 2-(4-methylcyclohexyl)acetate
CID 90121137
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
disodium;2,6-ditert-butyl-4-(3-phosphonatopropyl)phenol
CID 172808493
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
1,3,5-tris[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 87482865
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol
CID 19003383

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol (CID 142231486) is 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol is CC1CCC(CNCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1.
What is the InChIKey of 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol?
The InChIKey is WSEUAFJMOHONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO/c1-18-10-12-19(13-11-18)17-26-14-8-9-20-15-21(24(2,3)4)23(27)22(16-20)25(5,6)7/h15-16,18-19,26-27H,8-14,17H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol?
2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol has a molecular weight of 373.63 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol is sourced from PubChem (CID 142231486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).