N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine

C11H18N2O — CID 115225717

IUPACN'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
SMILESCCc1ccc(OC)c(CNCN)c1
InChIInChI=1S/C11H18N2O/c1-3-9-4-5-11(14-2)10(6-9)7-13-8-12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyYJBQRXAJKCIZIO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.26
Rot. Bonds5

About N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine

N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine (PubChem CID 115225717) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine.

Molecular Properties

Compound NameN'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
PubChem CID115225717
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
SMILESCCc1ccc(OC)c(CNCN)c1
InChIInChI=1S/C11H18N2O/c1-3-9-4-5-11(14-2)10(6-9)7-13-8-12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyYJBQRXAJKCIZIO-UHFFFAOYSA-N
XLogP1.26
TPSA47.28 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 ≤ 51.26
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-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine?
The IUPAC name of N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine (CID 115225717) is N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine.
What is the SMILES notation for N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine?
The canonical SMILES for N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine is CCc1ccc(OC)c(CNCN)c1.
What is the InChIKey of N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine?
The InChIKey is YJBQRXAJKCIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9-4-5-11(14-2)10(6-9)7-13-8-12/h4-6,13H,3,7-8,12H2,1-2H3.
What are the key properties of N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine?
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine has a molecular weight of 194.28 g/mol, XLogP of 1.26, 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)methyl]methanediamine is sourced from PubChem (CID 115225717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).