1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

C16H28N2O — CID 116904827

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1c(C)cc(C(CC(C)N)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-10-8-14(12(3)13(4)16(10)19-7)15(18(5)6)9-11(2)17/h8,11,15H,9,17H2,1-7H3
InChIKeyYQUNHZIGSYBRPK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 116904827) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID116904827
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCOc1c(C)cc(C(CC(C)N)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-10-8-14(12(3)13(4)16(10)19-7)15(18(5)6)9-11(2)17/h8,11,15H,9,17H2,1-7H3
InChIKeyYQUNHZIGSYBRPK-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
4-(dimethylamino)-4-(4-methoxy-2,3,5-trimethylphenyl)butanenitrile
CID 116910085
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
1-[dimethylamino-(4-methoxy-2,3,5-trimethylphenyl)methyl]cyclopropan-1-amine
CID 116914148
2-(4-methoxy-2,3,5-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116848105
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 116904827) is 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is COc1c(C)cc(C(CC(C)N)N(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is YQUNHZIGSYBRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10-8-14(12(3)13(4)16(10)19-7)15(18(5)6)9-11(2)17/h8,11,15H,9,17H2,1-7H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 116904827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).