2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine

C17H27NO2 — CID 66323892

IUPAC2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COCC2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-2-11-20-16-9-7-15(8-10-16)17(18)13-19-12-14-5-3-4-6-14/h7-10,14,17H,2-6,11-13,18H2,1H3
InChIKeyPTQYKISZMYBMDQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds8

About 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine

2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine (PubChem CID 66323892) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
PubChem CID66323892
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COCC2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-2-11-20-16-9-7-15(8-10-16)17(18)13-19-12-14-5-3-4-6-14/h7-10,14,17H,2-6,11-13,18H2,1H3
InChIKeyPTQYKISZMYBMDQ-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine (CID 66323892) is 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)COCC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is PTQYKISZMYBMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-11-20-16-9-7-15(8-10-16)17(18)13-19-12-14-5-3-4-6-14/h7-10,14,17H,2-6,11-13,18H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine?
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 66323892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).