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

C17H26BrNO — CID 104925952

IUPAC3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H26BrNO/c1-17(2,3)16(8-9-20)19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3
InChIKeyGHMUJQNSTACVNP-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.69
Rot. Bonds4

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

3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 104925952) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID104925952
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H26BrNO/c1-17(2,3)16(8-9-20)19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3
InChIKeyGHMUJQNSTACVNP-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

(7-Bromo-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 17932068
3-[(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103778664
3-[(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-difluoropropan-1-ol
CID 104860425
3-[(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol
CID 113262533
6-bromo-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625487
(6-Bromo-1,2,3,4-tetrahydro-naphthalen-2-yl)-butyl-amine
CID 63625845
7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane
CID 142248628
6-bromo-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 17932059
[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 55247697
6-bromo-N-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55247877
6-bromo-N-pentyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248454
6-bromo-N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55248455

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol (CID 104925952) is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is GHMUJQNSTACVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-17(2,3)16(8-9-20)19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3.
What are the key properties of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 340.31 g/mol, XLogP of 3.69, 4 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104925952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).