3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine

C15H26N2O — CID 117040436

IUPAC3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc(C)cc1CCN(C)C(C)CCN
InChIInChI=1S/C15H26N2O/c1-12-5-6-15(18-4)14(11-12)8-10-17(3)13(2)7-9-16/h5-6,11,13H,7-10,16H2,1-4H3
InChIKeyDBNGRDHSVMYYRP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds7

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

3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine (PubChem CID 117040436) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
PubChem CID117040436
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc(C)cc1CCN(C)C(C)CCN
InChIInChI=1S/C15H26N2O/c1-12-5-6-15(18-4)14(11-12)8-10-17(3)13(2)7-9-16/h5-6,11,13H,7-10,16H2,1-4H3
InChIKeyDBNGRDHSVMYYRP-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
2-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138344
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]butan-1-amine
CID 66228621
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
3-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]propane-1-thiol
CID 115225218

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine (CID 117040436) is 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine is COc1ccc(C)cc1CCN(C)C(C)CCN.
What is the InChIKey of 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is DBNGRDHSVMYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-6-15(18-4)14(11-12)8-10-17(3)13(2)7-9-16/h5-6,11,13H,7-10,16H2,1-4H3.
What are the key properties of 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine?
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).