3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine

C16H25NO2 — CID 112517181

IUPAC3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-19-15-5-3-13(4-6-15)16(7-10-17)14-8-11-18-12-9-14/h3-6,14,16H,2,7-12,17H2,1H3
InChIKeySNOULAAWOJDKDU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.94
Rot. Bonds6

About 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine

3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine (PubChem CID 112517181) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
PubChem CID112517181
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-19-15-5-3-13(4-6-15)16(7-10-17)14-8-11-18-12-9-14/h3-6,14,16H,2,7-12,17H2,1H3
InChIKeySNOULAAWOJDKDU-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
CID 112516776
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
4-(1-phenylpropyl)oxane
CID 155461106

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine (CID 112517181) is 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine is CCOc1ccc(C(CCN)C2CCOCC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine?
The InChIKey is SNOULAAWOJDKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-19-15-5-3-13(4-6-15)16(7-10-17)14-8-11-18-12-9-14/h3-6,14,16H,2,7-12,17H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine?
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 112517181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).