N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine

C18H31NO2 — CID 102981170

IUPACN-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)CCC)c1ccc(OCC)cc1
InChIInChI=1S/C18H31NO2/c1-5-8-15(4)21-14-18(19-13-6-2)16-9-11-17(12-10-16)20-7-3/h9-12,15,18-19H,5-8,13-14H2,1-4H3
InChIKeyDUGSZDSDTFBUCO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds11

About N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine

N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine (PubChem CID 102981170) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
PubChem CID102981170
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)CCC)c1ccc(OCC)cc1
InChIInChI=1S/C18H31NO2/c1-5-8-15(4)21-14-18(19-13-6-2)16-9-11-17(12-10-16)20-7-3/h9-12,15,18-19H,5-8,13-14H2,1-4H3
InChIKeyDUGSZDSDTFBUCO-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine
CID 102981222
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
CID 63474903
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine (CID 102981170) is N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)CCC)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
The InChIKey is DUGSZDSDTFBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-8-15(4)21-14-18(19-13-6-2)16-9-11-17(12-10-16)20-7-3/h9-12,15,18-19H,5-8,13-14H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine?
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 102981170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).