1-(4-butoxyphenyl)-2-cyclopentylethanamine

C17H27NO — CID 105139075

IUPAC1-(4-butoxyphenyl)-2-cyclopentylethanamine
SMILESCCCCOc1ccc(C(N)CC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3
InChIKeyWIUULICLLAMNEJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.45
Rot. Bonds7

About 1-(4-butoxyphenyl)-2-cyclopentylethanamine

1-(4-butoxyphenyl)-2-cyclopentylethanamine (PubChem CID 105139075) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-cyclopentylethanamine
PubChem CID105139075
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-butoxyphenyl)-2-cyclopentylethanamine
SMILESCCCCOc1ccc(C(N)CC2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3
InChIKeyWIUULICLLAMNEJ-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-cyclopentylethanamine?
The IUPAC name of 1-(4-butoxyphenyl)-2-cyclopentylethanamine (CID 105139075) is 1-(4-butoxyphenyl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(4-butoxyphenyl)-2-cyclopentylethanamine is CCCCOc1ccc(C(N)CC2CCCC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-cyclopentylethanamine?
The InChIKey is WIUULICLLAMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-12-19-16-10-8-15(9-11-16)17(18)13-14-6-4-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-2-cyclopentylethanamine?
1-(4-butoxyphenyl)-2-cyclopentylethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-cyclopentylethanamine is sourced from PubChem (CID 105139075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).