2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

C16H27NO2 — CID 115137616

IUPAC2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1c(C)cc(C)cc1CN(C)C(CO)C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)15(10-18)17(5)9-14-8-12(3)7-13(4)16(14)19-6/h7-8,11,15,18H,9-10H2,1-6H3
InChIKeyXTFPSSSPGOZZSQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds6

About 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137616) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137616
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1c(C)cc(C)cc1CN(C)C(CO)C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)15(10-18)17(5)9-14-8-12(3)7-13(4)16(14)19-6/h7-8,11,15,18H,9-10H2,1-6H3
InChIKeyXTFPSSSPGOZZSQ-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
CID 83941920
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
4-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231823
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115137616) is 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is COc1c(C)cc(C)cc1CN(C)C(CO)C(C)C.
What is the InChIKey of 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is XTFPSSSPGOZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)15(10-18)17(5)9-14-8-12(3)7-13(4)16(14)19-6/h7-8,11,15,18H,9-10H2,1-6H3.
What are the key properties of 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).