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

C16H28N2O — CID 115202127

IUPACN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNCCc1cc(C)cc(C)c1OC
InChIInChI=1S/C16H28N2O/c1-13-11-14(2)16(19-4)15(12-13)7-10-18-9-6-5-8-17-3/h11-12,17-18H,5-10H2,1-4H3
InChIKeyDKPMXLHLUAGAKR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.44
Rot. Bonds9

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

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine (PubChem CID 115202127) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
PubChem CID115202127
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCNCCCCNCCc1cc(C)cc(C)c1OC
InChIInChI=1S/C16H28N2O/c1-13-11-14(2)16(19-4)15(12-13)7-10-18-9-6-5-8-17-3/h11-12,17-18H,5-10H2,1-4H3
InChIKeyDKPMXLHLUAGAKR-UHFFFAOYSA-N
XLogP2.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.44
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-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119990
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine?
The IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine (CID 115202127) is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine is CNCCCCNCCc1cc(C)cc(C)c1OC.
What is the InChIKey of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine?
The InChIKey is DKPMXLHLUAGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-11-14(2)16(19-4)15(12-13)7-10-18-9-6-5-8-17-3/h11-12,17-18H,5-10H2,1-4H3.
What are the key properties of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine?
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine is sourced from PubChem (CID 115202127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).