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

C15H26N2O — CID 115198805

IUPACN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1c(C)cc(CCNCC(C)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-11(9-16)10-17-6-5-14-7-12(2)15(18-4)13(3)8-14/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyMSRIMKCDMMAFME-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds7

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

N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine (PubChem CID 115198805) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
PubChem CID115198805
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
SMILESCOc1c(C)cc(CCNCC(C)CN)cc1C
InChIInChI=1S/C15H26N2O/c1-11(9-16)10-17-6-5-14-7-12(2)15(18-4)13(3)8-14/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyMSRIMKCDMMAFME-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
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-methylbutane-1,4-diamine
CID 115202794
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816
3-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122359
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119990
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
CID 115198696
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine (CID 115198805) is N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine is COc1c(C)cc(CCNCC(C)CN)cc1C.
What is the InChIKey of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
The InChIKey is MSRIMKCDMMAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(9-16)10-17-6-5-14-7-12(2)15(18-4)13(3)8-14/h7-8,11,17H,5-6,9-10,16H2,1-4H3.
What are the key properties of N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine?
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).