1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine

C16H28N2O — CID 116905379

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C)cc1C(C(C)CCN)N(C)C
InChIInChI=1S/C16H28N2O/c1-11-9-13(3)16(19-6)14(10-11)15(18(4)5)12(2)7-8-17/h9-10,12,15H,7-8,17H2,1-6H3
InChIKeyPDIHLZAKXLRLRA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds6

About 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine

1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine (PubChem CID 116905379) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
PubChem CID116905379
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C)cc1C(C(C)CCN)N(C)C
InChIInChI=1S/C16H28N2O/c1-11-9-13(3)16(19-6)14(10-11)15(18(4)5)12(2)7-8-17/h9-10,12,15H,7-8,17H2,1-6H3
InChIKeyPDIHLZAKXLRLRA-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116913355
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905902
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
CID 116955312

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine (CID 116905379) is 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine is COc1c(C)cc(C)cc1C(C(C)CCN)N(C)C.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine?
The InChIKey is PDIHLZAKXLRLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-9-13(3)16(19-6)14(10-11)15(18(4)5)12(2)7-8-17/h9-10,12,15H,7-8,17H2,1-6H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine?
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116905379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).