2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol

C14H23NO — CID 62691567

IUPAC2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol
SMILESCCC(C)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-10(2)8-15-9-13-6-11(3)14(16)12(4)7-13/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyRGYFATSPZJHUSG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds5

About 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol

2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol (PubChem CID 62691567) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol
PubChem CID62691567
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol
SMILESCCC(C)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-10(2)8-15-9-13-6-11(3)14(16)12(4)7-13/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyRGYFATSPZJHUSG-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
CID 65108006
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol
CID 114941193
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol (CID 62691567) is 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol is CCC(C)CNCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol?
The InChIKey is RGYFATSPZJHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-10(2)8-15-9-13-6-11(3)14(16)12(4)7-13/h6-7,10,15-16H,5,8-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol?
2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol is sourced from PubChem (CID 62691567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).