N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine

C15H26N2O2 — CID 83960627

IUPACN'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
SMILESCOc1ccc(OCCNCCCCCCN)cc1
InChIInChI=1S/C15H26N2O2/c1-18-14-6-8-15(9-7-14)19-13-12-17-11-5-3-2-4-10-16/h6-9,17H,2-5,10-13,16H2,1H3
InChIKeyNRRSQGWMRVHDBN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.18
Rot. Bonds11

About N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine

N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine (PubChem CID 83960627) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
PubChem CID83960627
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
SMILESCOc1ccc(OCCNCCCCCCN)cc1
InChIInChI=1S/C15H26N2O2/c1-18-14-6-8-15(9-7-14)19-13-12-17-11-5-3-2-4-10-16/h6-9,17H,2-5,10-13,16H2,1H3
InChIKeyNRRSQGWMRVHDBN-UHFFFAOYSA-N
XLogP2.18
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine?
The IUPAC name of N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine (CID 83960627) is N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine is COc1ccc(OCCNCCCCCCN)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine?
The InChIKey is NRRSQGWMRVHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-18-14-6-8-15(9-7-14)19-13-12-17-11-5-3-2-4-10-16/h6-9,17H,2-5,10-13,16H2,1H3.
What are the key properties of N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine?
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine is sourced from PubChem (CID 83960627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).