N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine

C16H25NO2 — CID 43278175

IUPACN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC2)c(OCC)c1
InChIInChI=1S/C16H25NO2/c1-3-17-12-13-9-10-15(16(11-13)18-4-2)19-14-7-5-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChIKeyUYMMWXOYNLVTTN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.52
Rot. Bonds7

About N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine

N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine (PubChem CID 43278175) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
PubChem CID43278175
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC2CCCC2)c(OCC)c1
InChIInChI=1S/C16H25NO2/c1-3-17-12-13-9-10-15(16(11-13)18-4-2)19-14-7-5-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChIKeyUYMMWXOYNLVTTN-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60882214
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[3-(4-ethylcyclohexyl)oxy-4-methoxyphenyl]methyl]ethanamine
CID 64749835
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63556348
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine (CID 43278175) is N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine is CCNCc1ccc(OC2CCCC2)c(OCC)c1.
What is the InChIKey of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is UYMMWXOYNLVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-12-13-9-10-15(16(11-13)18-4-2)19-14-7-5-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3.
What are the key properties of N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine?
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43278175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).