N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine

C16H28N2O — CID 115198003

IUPACN'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-12-11-15(7-10-18-9-6-8-17-4)13(2)14(3)16(12)19-5/h11,17-18H,6-10H2,1-5H3
InChIKeyAHOOHDDOSMHWDQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.36
Rot. Bonds8

About N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine

N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine (PubChem CID 115198003) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
PubChem CID115198003
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-12-11-15(7-10-18-9-6-8-17-4)13(2)14(3)16(12)19-5/h11,17-18H,6-10H2,1-5H3
InChIKeyAHOOHDDOSMHWDQ-UHFFFAOYSA-N
XLogP2.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.36
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

4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine (CID 115198003) is N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine is CNCCCNCCc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine?
The InChIKey is AHOOHDDOSMHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-11-15(7-10-18-9-6-8-17-4)13(2)14(3)16(12)19-5/h11,17-18H,6-10H2,1-5H3.
What are the key properties of N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine?
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115198003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).