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

C17H27NO — CID 112569843

IUPAC2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
SMILESCCNCC(CCOc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-2-18-14-16(15-8-6-7-9-15)12-13-19-17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,2,6-9,12-14H2,1H3
InChIKeyBOSIHOWLIZPEEI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds8

About 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine

2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine (PubChem CID 112569843) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
PubChem CID112569843
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
SMILESCCNCC(CCOc1ccccc1)C1CCCC1
InChIInChI=1S/C17H27NO/c1-2-18-14-16(15-8-6-7-9-15)12-13-19-17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,2,6-9,12-14H2,1H3
InChIKeyBOSIHOWLIZPEEI-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 55155916
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62529307
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenoxybutan-1-amine
CID 62528237
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
CID 62381130
2-cyclopentyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 115926645
N-[3,3-dimethyl-2-(2-phenoxyethyl)butyl]cyclopropanamine
CID 83139427
4-cyclohexyl-2-cyclopentyl-N-ethylbutan-1-amine
CID 114192566

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The IUPAC name of 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine (CID 112569843) is 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine is CCNCC(CCOc1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
The InChIKey is BOSIHOWLIZPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18-14-16(15-8-6-7-9-15)12-13-19-17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,2,6-9,12-14H2,1H3.
What are the key properties of 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine?
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 112569843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).