1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine

C17H27NO — CID 55155916

IUPAC1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
SMILESCCNC(CCCOc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-2-18-17(15-9-6-7-10-15)13-8-14-19-16-11-4-3-5-12-16/h3-5,11-12,15,17-18H,2,6-10,13-14H2,1H3
InChIKeyWIMITKPQBRSJTH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds8

About 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine

1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine (PubChem CID 55155916) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
PubChem CID55155916
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
SMILESCCNC(CCCOc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-2-18-17(15-9-6-7-10-15)13-8-14-19-16-11-4-3-5-12-16/h3-5,11-12,15,17-18H,2,6-10,13-14H2,1H3
InChIKeyWIMITKPQBRSJTH-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
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

1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
CID 63862380
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine (CID 55155916) is 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine is CCNC(CCCOc1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The InChIKey is WIMITKPQBRSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18-17(15-9-6-7-10-15)13-8-14-19-16-11-4-3-5-12-16/h3-5,11-12,15,17-18H,2,6-10,13-14H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 55155916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).