2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide

C16H23BrN2O — CID 115920101

IUPAC2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H23BrN2O/c1-11(2)9-19-16(20)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,11,15,18H,4,6,8-10H2,1-2H3,(H,19,20)
InChIKeyNVQYMLVEWWBTOE-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.67
Rot. Bonds5

About 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 115920101) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID115920101
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H23BrN2O/c1-11(2)9-19-16(20)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,11,15,18H,4,6,8-10H2,1-2H3,(H,19,20)
InChIKeyNVQYMLVEWWBTOE-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
N-(3-methylbutyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)acetamide
CID 60674399
tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate
CID 103780185
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
6-bromo-N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625349
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920100
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(3-methylbutyl)piperidine-4-carboxamide
CID 11761333
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-[(4-methyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103903298

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 115920101) is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is NVQYMLVEWWBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(2)9-19-16(20)10-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3,5,7,11,15,18H,4,6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 339.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115920101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).