N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine

C16H28N2O — CID 115201544

IUPACN'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1CCN(C)CCCCN
InChIInChI=1S/C16H28N2O/c1-13-11-14(2)15(16(12-13)19-4)7-10-18(3)9-6-5-8-17/h11-12H,5-10,17H2,1-4H3
InChIKeyCSJIXKDQVCCRSX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds8

About N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine

N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine (PubChem CID 115201544) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
PubChem CID115201544
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
SMILESCOc1cc(C)cc(C)c1CCN(C)CCCCN
InChIInChI=1S/C16H28N2O/c1-13-11-14(2)15(16(12-13)19-4)7-10-18(3)9-6-5-8-17/h11-12H,5-10,17H2,1-4H3
InChIKeyCSJIXKDQVCCRSX-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
N-(hydrazinylmethyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115261264
N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 15045276

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine (CID 115201544) is N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine is COc1cc(C)cc(C)c1CCN(C)CCCCN.
What is the InChIKey of N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine?
The InChIKey is CSJIXKDQVCCRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-11-14(2)15(16(12-13)19-4)7-10-18(3)9-6-5-8-17/h11-12H,5-10,17H2,1-4H3.
What are the key properties of N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine?
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 115201544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).