1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol

C15H22BrNO — CID 113497556

IUPAC1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
SMILESCCC(O)CCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-2-13(18)7-8-17-12-9-11(10-12)14-5-3-4-6-15(14)16/h3-6,11-13,17-18H,2,7-10H2,1H3
InChIKeyXOQHVUUOSRVFSX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.45
Rot. Bonds6

About 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol

1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol (PubChem CID 113497556) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
PubChem CID113497556
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
SMILESCCC(O)CCNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-2-13(18)7-8-17-12-9-11(10-12)14-5-3-4-6-15(14)16/h3-6,11-13,17-18H,2,7-10H2,1H3
InChIKeyXOQHVUUOSRVFSX-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43633263
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030
N-[3-[[3-(2-bromophenyl)cyclobutyl]amino]propyl]methanesulfonamide
CID 106333342
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-[2-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635490

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol?
The IUPAC name of 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol (CID 113497556) is 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol?
The canonical SMILES for 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol is CCC(O)CCNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol?
The InChIKey is XOQHVUUOSRVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-13(18)7-8-17-12-9-11(10-12)14-5-3-4-6-15(14)16/h3-6,11-13,17-18H,2,7-10H2,1H3.
What are the key properties of 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol?
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol has a molecular weight of 312.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol is sourced from PubChem (CID 113497556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).