N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine

C17H27NO — CID 63824425

IUPACN-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
SMILESCCCC(NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-8-17(15-9-4-3-5-10-15)18-13-14-19-16-11-6-7-12-16/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3
InChIKeyDOKRIULCIHIWOK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds8

About N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine

N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine (PubChem CID 63824425) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
PubChem CID63824425
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
SMILESCCCC(NCCOC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-8-17(15-9-4-3-5-10-15)18-13-14-19-16-11-6-7-12-16/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3
InChIKeyDOKRIULCIHIWOK-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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

N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
CID 63827808
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine (CID 63824425) is N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine is CCCC(NCCOC1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine?
The InChIKey is DOKRIULCIHIWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-8-17(15-9-4-3-5-10-15)18-13-14-19-16-11-6-7-12-16/h3-5,9-10,16-18H,2,6-8,11-14H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine?
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 63824425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).