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

C13H22N2O — CID 115195427

IUPACN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CCNCCN
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)13(16-3)12(9-10)4-6-15-7-5-14/h8-9,15H,4-7,14H2,1-3H3
InChIKeyQCUCPBKKBDLASC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.40
Rot. Bonds6

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

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195427) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195427
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CCNCCN
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)13(16-3)12(9-10)4-6-15-7-5-14/h8-9,15H,4-7,14H2,1-3H3
InChIKeyQCUCPBKKBDLASC-UHFFFAOYSA-N
XLogP1.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.40
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]-N-methylbutane-1,4-diamine
CID 115202127
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
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
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
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine (CID 115195427) is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine is COc1c(C)cc(C)cc1CCNCCN.
What is the InChIKey of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is QCUCPBKKBDLASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-8-11(2)13(16-3)12(9-10)4-6-15-7-5-14/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.40, 6 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]ethane-1,2-diamine is sourced from PubChem (CID 115195427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).