2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol

C16H27NO3 — CID 111916693

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO3/c1-6-7-16(3,11-18)17-10-13-9-15(20-5)14(19-4)8-12(13)2/h8-9,17-18H,6-7,10-11H2,1-5H3
InChIKeyLKYMMGNYMGAEDY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.65
Rot. Bonds8

About 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol

2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 111916693) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
PubChem CID111916693
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO3/c1-6-7-16(3,11-18)17-10-13-9-15(20-5)14(19-4)8-12(13)2/h8-9,17-18H,6-7,10-11H2,1-5H3
InChIKeyLKYMMGNYMGAEDY-UHFFFAOYSA-N
XLogP2.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 64551186
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
CID 111432021
2-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2-methylpentan-1-ol
CID 111456696
2-[(4-methoxy-3-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 111432912
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115710888
2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115702491
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111466606
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2-methylpentan-2-amine
CID 115646562
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
CID 84597784
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methylamino]propanoic acid
CID 83194866

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol (CID 111916693) is 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NCc1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is LKYMMGNYMGAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-7-16(3,11-18)17-10-13-9-15(20-5)14(19-4)8-12(13)2/h8-9,17-18H,6-7,10-11H2,1-5H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol?
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 111916693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).