5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine

C14H24N2O2 — CID 81101880

IUPAC5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(11-12(15)6-5-9-17-2)13-7-4-8-14(10-13)18-3/h4,7-8,10,12H,5-6,9,11,15H2,1-3H3
InChIKeyLKNJKPUNMZNMKY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds8

About 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine

5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine (PubChem CID 81101880) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
PubChem CID81101880
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(11-12(15)6-5-9-17-2)13-7-4-8-14(10-13)18-3/h4,7-8,10,12H,5-6,9,11,15H2,1-3H3
InChIKeyLKNJKPUNMZNMKY-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
CID 103370690
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine (CID 81101880) is 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine is COCCCC(N)CN(C)c1cccc(OC)c1.
What is the InChIKey of 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The InChIKey is LKNJKPUNMZNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(11-12(15)6-5-9-17-2)13-7-4-8-14(10-13)18-3/h4,7-8,10,12H,5-6,9,11,15H2,1-3H3.
What are the key properties of 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 81101880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).