N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine

C14H24N2O2 — CID 62562567

IUPACN-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOCCNCCCN(C)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O2/c1-16(11-4-9-15-10-12-17-2)13-5-7-14(18-3)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyPQMIURASALIOFZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds9

About N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine

N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62562567) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
PubChem CID62562567
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOCCNCCCN(C)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O2/c1-16(11-4-9-15-10-12-17-2)13-5-7-14(18-3)8-6-13/h5-8,15H,4,9-12H2,1-3H3
InChIKeyPQMIURASALIOFZ-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
CID 106799672
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (CID 62562567) is N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is COCCNCCCN(C)c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is PQMIURASALIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(11-4-9-15-10-12-17-2)13-5-7-14(18-3)8-6-13/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62562567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).