5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine

C15H26N2O2 — CID 103391759

IUPAC5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
SMILESCOCC(CCCN)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-17(14(12-18-2)5-4-10-16)11-13-6-8-15(19-3)9-7-13/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyOZDWHKPPFOAVCP-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.88
Rot. Bonds9

About 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine

5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine (PubChem CID 103391759) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
PubChem CID103391759
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
SMILESCOCC(CCCN)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O2/c1-17(14(12-18-2)5-4-10-16)11-13-6-8-15(19-3)9-7-13/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyOZDWHKPPFOAVCP-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 103391713
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726
3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine (CID 103391759) is 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine is COCC(CCCN)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine?
The InChIKey is OZDWHKPPFOAVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17(14(12-18-2)5-4-10-16)11-13-6-8-15(19-3)9-7-13/h6-9,14H,4-5,10-12,16H2,1-3H3.
What are the key properties of 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine?
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 103391759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).