N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine

C18H31NO2 — CID 103604960

IUPACN-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
SMILESCOc1ccc(OCCNCCCCCCC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-16(2)8-6-4-5-7-13-19-14-15-21-18-11-9-17(20-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyZLJSVIVELARXFG-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.27
Rot. Bonds12

About N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine

N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine (PubChem CID 103604960) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
PubChem CID103604960
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
SMILESCOc1ccc(OCCNCCCCCCC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-16(2)8-6-4-5-7-13-19-14-15-21-18-11-9-17(20-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyZLJSVIVELARXFG-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-[4-(4-chlorophenoxy)butyl]-3-methylbutan-1-amine
CID 82104298

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine (CID 103604960) is N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine is COc1ccc(OCCNCCCCCCC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine?
The InChIKey is ZLJSVIVELARXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-16(2)8-6-4-5-7-13-19-14-15-21-18-11-9-17(20-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine?
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 103604960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).