1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine

C17H27NO2 — CID 61342843

IUPAC1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO2/c1-3-19-17-11-15(10-13(2)18)8-9-16(17)20-12-14-6-4-5-7-14/h8-9,11,13-14H,3-7,10,12,18H2,1-2H3
InChIKeyXXBOFJLPBRCELT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds7

About 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine

1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine (PubChem CID 61342843) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
PubChem CID61342843
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO2/c1-3-19-17-11-15(10-13(2)18)8-9-16(17)20-12-14-6-4-5-7-14/h8-9,11,13-14H,3-7,10,12,18H2,1-2H3
InChIKeyXXBOFJLPBRCELT-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine (CID 61342843) is 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1OCC1CCCC1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine?
The InChIKey is XXBOFJLPBRCELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-17-11-15(10-13(2)18)8-9-16(17)20-12-14-6-4-5-7-14/h8-9,11,13-14H,3-7,10,12,18H2,1-2H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine?
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine is sourced from PubChem (CID 61342843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).