2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine

C16H28N2O — CID 115138093

IUPAC2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1N(C)C(CN)C(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)14(9-17)18(6)15-12(4)8-11(3)13(5)16(15)19-7/h8,10,14H,9,17H2,1-7H3
InChIKeyHQDHBLVPXGZYNV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds5

About 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine

2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 115138093) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
PubChem CID115138093
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1N(C)C(CN)C(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)14(9-17)18(6)15-12(4)8-11(3)13(5)16(15)19-7/h8,10,14H,9,17H2,1-7H3
InChIKeyHQDHBLVPXGZYNV-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
CID 115138216
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199468

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine (CID 115138093) is 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine is COc1c(C)c(C)cc(C)c1N(C)C(CN)C(C)C.
What is the InChIKey of 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is HQDHBLVPXGZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)14(9-17)18(6)15-12(4)8-11(3)13(5)16(15)19-7/h8,10,14H,9,17H2,1-7H3.
What are the key properties of 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine?
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115138093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).