N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine

C17H30N2O2 — CID 82364755

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCCCOc1ccc(CNCCCCN(C)C)cc1OC
InChIInChI=1S/C17H30N2O2/c1-5-12-21-16-9-8-15(13-17(16)20-4)14-18-10-6-7-11-19(2)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyZEHXZCGPKGVFRE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.92
Rot. Bonds11

About N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine

N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine (PubChem CID 82364755) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
PubChem CID82364755
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCCCOc1ccc(CNCCCCN(C)C)cc1OC
InChIInChI=1S/C17H30N2O2/c1-5-12-21-16-9-8-15(13-17(16)20-4)14-18-10-6-7-11-19(2)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyZEHXZCGPKGVFRE-UHFFFAOYSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.92
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

N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718175
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-methoxyphenoxy]ethanol;dihydrochloride
CID 17214902
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine (CID 82364755) is N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine is CCCOc1ccc(CNCCCCN(C)C)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is ZEHXZCGPKGVFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-12-21-16-9-8-15(13-17(16)20-4)14-18-10-6-7-11-19(2)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine?
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 82364755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).