(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol

C17H14BrNO — CID 82703708

IUPAC(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H,19H2
InChIKeyHEDIZIHGFJCEGA-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.27
Rot. Bonds2

About (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol

(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol (PubChem CID 82703708) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
PubChem CID82703708
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H,19H2
InChIKeyHEDIZIHGFJCEGA-UHFFFAOYSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
CID 82704078
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
CID 82703403
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
CID 114329794
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
2-bromonaphthalene
CID 50940586
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
anthracen-2-yl(phenyl)methanol
CID 15685338
amino(naphthalen-2-yl)methanol
CID 57110079
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
naphthalen-2-ylmethanediol
CID 22496827

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol (CID 82703708) is (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol is Nc1ccc(Br)cc1C(O)c1ccc2ccccc2c1.
What is the InChIKey of (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol?
The InChIKey is HEDIZIHGFJCEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,17,20H,19H2.
What are the key properties of (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol?
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol has a molecular weight of 328.21 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 82703708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).