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

C18H26BrN — CID 106009029

IUPAC3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCCC2CCCC2)C1
InChIInChI=1S/C18H26BrN/c19-18-10-4-3-9-17(18)15-12-16(13-15)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,14-16,20H,1-2,5-8,11-13H2
InChIKeyGQJOSGBQUYWJMN-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.26
Rot. Bonds6

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

3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine (PubChem CID 106009029) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
PubChem CID106009029
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCCC2CCCC2)C1
InChIInChI=1S/C18H26BrN/c19-18-10-4-3-9-17(18)15-12-16(13-15)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,14-16,20H,1-2,5-8,11-13H2
InChIKeyGQJOSGBQUYWJMN-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
CID 63824048
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635490
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43633671
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
CID 113478701

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine (CID 106009029) is 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine is Brc1ccccc1C1CC(NCCCC2CCCC2)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine?
The InChIKey is GQJOSGBQUYWJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN/c19-18-10-4-3-9-17(18)15-12-16(13-15)20-11-5-8-14-6-1-2-7-14/h3-4,9-10,14-16,20H,1-2,5-8,11-13H2.
What are the key properties of 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine has a molecular weight of 336.32 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 106009029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).