3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine

C16H28N2O2 — CID 103226082

IUPAC3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O2/c1-5-10-17-11-15(13-19-3)18(2)12-14-6-8-16(20-4)9-7-14/h6-9,15,17H,5,10-13H2,1-4H3
InChIKeyYNFDHSDNDXJDKP-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds10

About 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine

3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 103226082) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID103226082
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O2/c1-5-10-17-11-15(13-19-3)18(2)12-14-6-8-16(20-4)9-7-14/h6-9,15,17H,5,10-13H2,1-4H3
InChIKeyYNFDHSDNDXJDKP-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
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

3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054292
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 103226082) is 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is YNFDHSDNDXJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-10-17-11-15(13-19-3)18(2)12-14-6-8-16(20-4)9-7-14/h6-9,15,17H,5,10-13H2,1-4H3.
What are the key properties of 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103226082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).