(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol

C11H14BrNO — CID 58466784

IUPAC(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
SMILESNC1(CO)CCc2c(Br)cccc2C1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-2-8-6-11(13,7-14)5-4-9(8)10/h1-3,14H,4-7,13H2
InChIKeyDOLRNBMLQBPDHX-UHFFFAOYSA-N
MW256.14 g/mol
LogP1.63
Rot. Bonds1

About (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol

(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol (PubChem CID 58466784) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
PubChem CID58466784
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
SMILESNC1(CO)CCc2c(Br)cccc2C1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-2-8-6-11(13,7-14)5-4-9(8)10/h1-3,14H,4-7,13H2
InChIKeyDOLRNBMLQBPDHX-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-8-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466832
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanetriol
CID 91335874
(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride
CID 46864780
N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
CID 58467128
2-(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)ethanol;tert-butyl N-[5-bromo-2-(2-hydroxyethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbamate
CID 159010200
[(2S)-2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl]methanol;(3S)-8-bromo-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];1,1,1-trimethoxyethane
CID 159029419
2-[(2-bromophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 54919338
8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
CID 89458507
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 13177868
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
(2-amino-4-bromo-7-fluoro-1,3-dihydroinden-2-yl)methanol
CID 58466660
2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
CID 71263668

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol?
The IUPAC name of (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol (CID 58466784) is (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol.
What is the SMILES notation for (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol?
The canonical SMILES for (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol is NC1(CO)CCc2c(Br)cccc2C1.
What is the InChIKey of (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol?
The InChIKey is DOLRNBMLQBPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-3-1-2-8-6-11(13,7-14)5-4-9(8)10/h1-3,14H,4-7,13H2.
What are the key properties of (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol?
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol has a molecular weight of 256.14 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol is sourced from PubChem (CID 58466784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).