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

C17H24BrNO — CID 65107128

IUPAC1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCc3cc(Br)ccc3C2)CCCCC1
InChIInChI=1S/C17H24BrNO/c18-15-6-4-14-11-16(7-5-13(14)10-15)19-12-17(20)8-2-1-3-9-17/h4,6,10,16,19-20H,1-3,5,7-9,11-12H2
InChIKeyXNXVCYAEMZUGFP-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.59
Rot. Bonds3

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

1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65107128) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65107128
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNC2CCc3cc(Br)ccc3C2)CCCCC1
InChIInChI=1S/C17H24BrNO/c18-15-6-4-14-11-16(7-5-13(14)10-15)19-12-17(20)8-2-1-3-9-17/h4,6,10,16,19-20H,1-3,5,7-9,11-12H2
InChIKeyXNXVCYAEMZUGFP-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol (CID 65107128) is 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol is OC1(CNC2CCc3cc(Br)ccc3C2)CCCCC1.
What is the InChIKey of 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XNXVCYAEMZUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-15-6-4-14-11-16(7-5-13(14)10-15)19-12-17(20)8-2-1-3-9-17/h4,6,10,16,19-20H,1-3,5,7-9,11-12H2.
What are the key properties of 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 338.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65107128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).