N-(4-methoxyphenoxy)ethanamine

C9H13NO2 — CID 88771391

IUPACN-(4-methoxyphenoxy)ethanamine
SMILESCCNOc1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-3-10-12-9-6-4-8(11-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyNOTQPWDTMWQHJH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.60
Rot. Bonds4

About N-(4-methoxyphenoxy)ethanamine

N-(4-methoxyphenoxy)ethanamine (PubChem CID 88771391) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(4-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(4-methoxyphenoxy)ethanamine
PubChem CID88771391
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(4-methoxyphenoxy)ethanamine
SMILESCCNOc1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-3-10-12-9-6-4-8(11-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyNOTQPWDTMWQHJH-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(ethylamino)-4-methoxyaniline
CID 67588324
ethylamino 4-methoxybenzoate
CID 87829629
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
1-methoxy-4-methylbenzene;propane
CID 142064987
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-(4-methoxyphenoxy)formamide
CID 174284253
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenoxy)ethanamine?
The IUPAC name of N-(4-methoxyphenoxy)ethanamine (CID 88771391) is N-(4-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-(4-methoxyphenoxy)ethanamine?
The canonical SMILES for N-(4-methoxyphenoxy)ethanamine is CCNOc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenoxy)ethanamine?
The InChIKey is NOTQPWDTMWQHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-10-12-9-6-4-8(11-2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of N-(4-methoxyphenoxy)ethanamine?
N-(4-methoxyphenoxy)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenoxy)ethanamine is sourced from PubChem (CID 88771391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).