3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine

C17H24BrNO — CID 63824048

IUPAC3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCOC2CCCC2)C1
InChIInChI=1S/C17H24BrNO/c18-17-8-4-3-7-16(17)13-11-14(12-13)19-9-10-20-15-5-1-2-6-15/h3-4,7-8,13-15,19H,1-2,5-6,9-12H2
InChIKeyJVCAUTIFYSSSPQ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine (PubChem CID 63824048) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
PubChem CID63824048
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCOC2CCCC2)C1
InChIInChI=1S/C17H24BrNO/c18-17-8-4-3-7-16(17)13-11-14(12-13)19-9-10-20-15-5-1-2-6-15/h3-4,7-8,13-15,19H,1-2,5-6,9-12H2
InChIKeyJVCAUTIFYSSSPQ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.24
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

3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43633671
3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635490
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine (CID 63824048) is 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine is Brc1ccccc1C1CC(NCCOC2CCCC2)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine?
The InChIKey is JVCAUTIFYSSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-17-8-4-3-7-16(17)13-11-14(12-13)19-9-10-20-15-5-1-2-6-15/h3-4,7-8,13-15,19H,1-2,5-6,9-12H2.
What are the key properties of 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 63824048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).