3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol

C16H22BrNO — CID 103271395

IUPAC3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C16H22BrNO/c17-14-4-2-13-9-15(5-3-12(13)8-14)18-10-11-1-6-16(19)7-11/h2,4,8,11,15-16,18-19H,1,3,5-7,9-10H2
InChIKeyKZAUOKLAGJAVPK-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.06
Rot. Bonds3

About 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol

3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103271395) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103271395
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNC2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C16H22BrNO/c17-14-4-2-13-9-15(5-3-12(13)8-14)18-10-11-1-6-16(19)7-11/h2,4,8,11,15-16,18-19H,1,3,5-7,9-10H2
InChIKeyKZAUOKLAGJAVPK-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol (CID 103271395) is 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol is OC1CCC(CNC2CCc3cc(Br)ccc3C2)C1.
What is the InChIKey of 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KZAUOKLAGJAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-4-2-13-9-15(5-3-12(13)8-14)18-10-11-1-6-16(19)7-11/h2,4,8,11,15-16,18-19H,1,3,5-7,9-10H2.
What are the key properties of 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol?
3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 324.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).