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

C14H24N2O2 — CID 81101758

IUPAC5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)c1ccccc1OC
InChIInChI=1S/C14H24N2O2/c1-16(11-12(15)7-6-10-17-2)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,15H2,1-3H3
InChIKeyJCAYHIFWJYMQIV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds8

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

5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine (PubChem CID 81101758) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
PubChem CID81101758
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)c1ccccc1OC
InChIInChI=1S/C14H24N2O2/c1-16(11-12(15)7-6-10-17-2)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,15H2,1-3H3
InChIKeyJCAYHIFWJYMQIV-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

5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
CID 65012537
1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520677
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
2-methoxy-N-methyl-N-propylaniline
CID 23198488
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine (CID 81101758) is 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine is COCCCC(N)CN(C)c1ccccc1OC.
What is the InChIKey of 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
The InChIKey is JCAYHIFWJYMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(11-12(15)7-6-10-17-2)13-8-4-5-9-14(13)18-3/h4-5,8-9,12H,6-7,10-11,15H2,1-3H3.
What are the key properties of 5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine?
5-methoxy-1-N-(2-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-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 81101758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).