1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine

C11H18N2O — CID 116939309

IUPAC1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
SMILESCCc1ccc(OC)c(C(N)NC)c1
InChIInChI=1S/C11H18N2O/c1-4-8-5-6-10(14-3)9(7-8)11(12)13-2/h5-7,11,13H,4,12H2,1-3H3
InChIKeyGYKDIVGFJJKILS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.43
Rot. Bonds4

About 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine

1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine (PubChem CID 116939309) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
PubChem CID116939309
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
SMILESCCc1ccc(OC)c(C(N)NC)c1
InChIInChI=1S/C11H18N2O/c1-4-8-5-6-10(14-3)9(7-8)11(12)13-2/h5-7,11,13H,4,12H2,1-3H3
InChIKeyGYKDIVGFJJKILS-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
(E)-4-(5-ethyl-2-methoxyphenyl)-4-(methylamino)but-2-enoic acid
CID 116956314
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958555

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine (CID 116939309) is 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine is CCc1ccc(OC)c(C(N)NC)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine?
The InChIKey is GYKDIVGFJJKILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-8-5-6-10(14-3)9(7-8)11(12)13-2/h5-7,11,13H,4,12H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine?
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine has a molecular weight of 194.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 116939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).