3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine

C14H23NO2 — CID 2296967

IUPAC3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCOc1cccc(OCCCNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-4-16-13-7-5-8-14(11-13)17-10-6-9-15-12(2)3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyNWQAPBDQXOFXAO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.85
Rot. Bonds8

About 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine

3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 2296967) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID2296967
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCOc1cccc(OCCCNC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-4-16-13-7-5-8-14(11-13)17-10-6-9-15-12(2)3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyNWQAPBDQXOFXAO-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.85
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

3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 67578950
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
CID 62337461
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine (CID 2296967) is 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine is CCOc1cccc(OCCCNC(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is NWQAPBDQXOFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-13-7-5-8-14(11-13)17-10-6-9-15-12(2)3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine?
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 2296967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).