N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine

C16H28N2O — CID 115198816

IUPACN'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1CCNCC(C)CN
InChIInChI=1S/C16H28N2O/c1-11(9-17)10-18-7-6-15-13(3)8-12(2)14(4)16(15)19-5/h8,11,18H,6-7,9-10,17H2,1-5H3
InChIKeyORMNMCLZPGIEJQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.35
Rot. Bonds7

About N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine

N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine (PubChem CID 115198816) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
PubChem CID115198816
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1c(C)c(C)cc(C)c1CCNCC(C)CN
InChIInChI=1S/C16H28N2O/c1-11(9-17)10-18-7-6-15-13(3)8-12(2)14(4)16(15)19-5/h8,11,18H,6-7,9-10,17H2,1-5H3
InChIKeyORMNMCLZPGIEJQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198564
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine (CID 115198816) is N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine is COc1c(C)c(C)cc(C)c1CCNCC(C)CN.
What is the InChIKey of N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The InChIKey is ORMNMCLZPGIEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(9-17)10-18-7-6-15-13(3)8-12(2)14(4)16(15)19-5/h8,11,18H,6-7,9-10,17H2,1-5H3.
What are the key properties of N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).