6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H25BrN2 — CID 105414711

IUPAC6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1(CNC2CCc3cc(Br)ccc3C2)CCC1
InChIInChI=1S/C17H25BrN2/c1-20(2)17(8-3-9-17)12-19-16-7-5-13-10-15(18)6-4-14(13)11-16/h4,6,10,16,19H,3,5,7-9,11-12H2,1-2H3
InChIKeyCLFVPWZWTDCIHM-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.38
Rot. Bonds4

About 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 105414711) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID105414711
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1(CNC2CCc3cc(Br)ccc3C2)CCC1
InChIInChI=1S/C17H25BrN2/c1-20(2)17(8-3-9-17)12-19-16-7-5-13-10-15(18)6-4-14(13)11-16/h4,6,10,16,19H,3,5,7-9,11-12H2,1-2H3
InChIKeyCLFVPWZWTDCIHM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 105414711) is 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1(CNC2CCc3cc(Br)ccc3C2)CCC1.
What is the InChIKey of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CLFVPWZWTDCIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-20(2)17(8-3-9-17)12-19-16-7-5-13-10-15(18)6-4-14(13)11-16/h4,6,10,16,19H,3,5,7-9,11-12H2,1-2H3.
What are the key properties of 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 337.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 105414711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).