[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

C15H22BrNO — CID 55247697

IUPAC[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESCC(C)CNC1(CO)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrNO/c1-11(2)9-17-15(10-18)6-5-12-7-14(16)4-3-13(12)8-15/h3-4,7,11,17-18H,5-6,8-10H2,1-2H3
InChIKeyLXUYVBPROYUDCN-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.91
Rot. Bonds4

About [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (PubChem CID 55247697) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
PubChem CID55247697
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESCC(C)CNC1(CO)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrNO/c1-11(2)9-17-15(10-18)6-5-12-7-14(16)4-3-13(12)8-15/h3-4,7,11,17-18H,5-6,8-10H2,1-2H3
InChIKeyLXUYVBPROYUDCN-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The IUPAC name of [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (CID 55247697) is [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is CC(C)CNC1(CO)CCc2cc(Br)ccc2C1.
What is the InChIKey of [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The InChIKey is LXUYVBPROYUDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(2)9-17-15(10-18)6-5-12-7-14(16)4-3-13(12)8-15/h3-4,7,11,17-18H,5-6,8-10H2,1-2H3.
What are the key properties of [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
[6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol has a molecular weight of 312.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 55247697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).