N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine

C14H24N2O2 — CID 55024417

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(OCCNCCCN(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)11-4-9-15-10-12-18-14-7-5-13(17-3)6-8-14/h5-8,15H,4,9-12H2,1-3H3
InChIKeyJOJRZNFVCCIEIO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 55024417) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID55024417
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(OCCNCCCN(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)11-4-9-15-10-12-18-14-7-5-13(17-3)6-8-14/h5-8,15H,4,9-12H2,1-3H3
InChIKeyJOJRZNFVCCIEIO-UHFFFAOYSA-N
XLogP1.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
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-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62597043
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410081
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
CID 60686693
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 55024417) is N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine is COc1ccc(OCCNCCCN(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is JOJRZNFVCCIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2)11-4-9-15-10-12-18-14-7-5-13(17-3)6-8-14/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 55024417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).