2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine

C15H26N2O — CID 117040130

IUPAC2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCCc1ccc(OC)c(CCN(C)C(C)CN)c1
InChIInChI=1S/C15H26N2O/c1-5-13-6-7-15(18-4)14(10-13)8-9-17(3)12(2)11-16/h6-7,10,12H,5,8-9,11,16H2,1-4H3
InChIKeyYTXSNSRDZCSWFZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.08
Rot. Bonds7

About 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine

2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine (PubChem CID 117040130) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
PubChem CID117040130
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCCc1ccc(OC)c(CCN(C)C(C)CN)c1
InChIInChI=1S/C15H26N2O/c1-5-13-6-7-15(18-4)14(10-13)8-9-17(3)12(2)11-16/h6-7,10,12H,5,8-9,11,16H2,1-4H3
InChIKeyYTXSNSRDZCSWFZ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
2-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138344
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine (CID 117040130) is 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine is CCc1ccc(OC)c(CCN(C)C(C)CN)c1.
What is the InChIKey of 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is YTXSNSRDZCSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13-6-7-15(18-4)14(10-13)8-9-17(3)12(2)11-16/h6-7,10,12H,5,8-9,11,16H2,1-4H3.
What are the key properties of 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117040130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).