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

C11H18N2O — CID 115226519

IUPACN'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
SMILESCCc1ccc(OC)c(NCNC)c1
InChIInChI=1S/C11H18N2O/c1-4-9-5-6-11(14-3)10(7-9)13-8-12-2/h5-7,12-13H,4,8H2,1-3H3
InChIKeyNARRNWSBVVBSAF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds5

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

N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine (PubChem CID 115226519) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
PubChem CID115226519
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
SMILESCCc1ccc(OC)c(NCNC)c1
InChIInChI=1S/C11H18N2O/c1-4-9-5-6-11(14-3)10(7-9)13-8-12-2/h5-7,12-13H,4,8H2,1-3H3
InChIKeyNARRNWSBVVBSAF-UHFFFAOYSA-N
XLogP1.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
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

N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine?
The IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine (CID 115226519) is N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine?
The canonical SMILES for N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine is CCc1ccc(OC)c(NCNC)c1.
What is the InChIKey of N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine?
The InChIKey is NARRNWSBVVBSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9-5-6-11(14-3)10(7-9)13-8-12-2/h5-7,12-13H,4,8H2,1-3H3.
What are the key properties of N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine?
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine has a molecular weight of 194.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine is sourced from PubChem (CID 115226519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).