3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol

C16H22BrNO — CID 107167877

IUPAC3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H22BrNO/c17-14-4-2-12(3-5-14)13-8-15(9-13)18-10-11-1-6-16(19)7-11/h2-5,11,13,15-16,18-19H,1,6-10H2
InChIKeyFYTABSHXWBAATK-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.45
Rot. Bonds4

About 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol

3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (PubChem CID 107167877) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
PubChem CID107167877
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H22BrNO/c17-14-4-2-12(3-5-14)13-8-15(9-13)18-10-11-1-6-16(19)7-11/h2-5,11,13,15-16,18-19H,1,6-10H2
InChIKeyFYTABSHXWBAATK-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

Analyze 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66005603
3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol
CID 103271395
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 103578521
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
3-(4-bromophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclobutan-1-amine
CID 81038703
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (CID 107167877) is 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol is OC1CCC(CNC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is FYTABSHXWBAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-4-2-12(3-5-14)13-8-15(9-13)18-10-11-1-6-16(19)7-11/h2-5,11,13,15-16,18-19H,1,6-10H2.
What are the key properties of 3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
3-[[[3-(4-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-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107167877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).