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

C16H22BrNO — CID 106121067

IUPAC3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CC(c3ccccc3Br)C2)C1
InChIInChI=1S/C16H22BrNO/c17-16-4-2-1-3-15(16)12-8-13(9-12)18-10-11-5-6-14(19)7-11/h1-4,11-14,18-19H,5-10H2
InChIKeyUEEPLBMXKKKVNG-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.45
Rot. Bonds4

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

3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (PubChem CID 106121067) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
PubChem CID106121067
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CC(c3ccccc3Br)C2)C1
InChIInChI=1S/C16H22BrNO/c17-16-4-2-1-3-15(16)12-8-13(9-12)18-10-11-5-6-14(19)7-11/h1-4,11-14,18-19H,5-10H2
InChIKeyUEEPLBMXKKKVNG-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 107167877
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
CID 103271312
3-(2-bromophenyl)-N-(3-cyclopentylpropyl)cyclobutan-1-amine
CID 106009029
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
CID 63989921
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 103578521
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (CID 106121067) is 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol is OC1CCC(CNC2CC(c3ccccc3Br)C2)C1.
What is the InChIKey of 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is UEEPLBMXKKKVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-16-4-2-1-3-15(16)12-8-13(9-12)18-10-11-5-6-14(19)7-11/h1-4,11-14,18-19H,5-10H2.
What are the key properties of 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 324.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106121067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).