1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine

C16H28N2O — CID 115199468

IUPAC1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1CN(C)CCC(C)N
InChIInChI=1S/C16H28N2O/c1-11-9-12(2)15(16(19-6)14(11)4)10-18(5)8-7-13(3)17/h9,13H,7-8,10,17H2,1-6H3
InChIKeyFFHWOWAXWGMHGV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.79
Rot. Bonds6

About 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine

1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine (PubChem CID 115199468) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
PubChem CID115199468
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1CN(C)CCC(C)N
InChIInChI=1S/C16H28N2O/c1-11-9-12(2)15(16(19-6)14(11)4)10-18(5)8-7-13(3)17/h9,13H,7-8,10,17H2,1-6H3
InChIKeyFFHWOWAXWGMHGV-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203766
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine (CID 115199468) is 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine is COc1c(C)c(C)cc(C)c1CN(C)CCC(C)N.
What is the InChIKey of 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is FFHWOWAXWGMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-9-12(2)15(16(19-6)14(11)4)10-18(5)8-7-13(3)17/h9,13H,7-8,10,17H2,1-6H3.
What are the key properties of 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).