1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine

C16H25NO2 — CID 54929333

IUPAC1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OC1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-18-15-10-6-7-13(11-12(2)17)16(15)19-14-8-4-5-9-14/h6-7,10,12,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyDILBWFBYDRAPCR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds6

About 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine

1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine (PubChem CID 54929333) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
PubChem CID54929333
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OC1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-18-15-10-6-7-13(11-12(2)17)16(15)19-14-8-4-5-9-14/h6-7,10,12,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyDILBWFBYDRAPCR-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine (CID 54929333) is 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine is CCOc1cccc(CC(C)N)c1OC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine?
The InChIKey is DILBWFBYDRAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-15-10-6-7-13(11-12(2)17)16(15)19-14-8-4-5-9-14/h6-7,10,12,14H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine?
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine is sourced from PubChem (CID 54929333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).