1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol

C17H14BrNO — CID 39345448

IUPAC1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
SMILESN[C@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14BrNO/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20/h1-10,17,20H,19H2/t17-/m1/s1
InChIKeyLHJGZPQOUAARIZ-QGZVFWFLSA-N
MW328.21 g/mol
LogP4.36
Rot. Bonds2

About 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol

1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol (PubChem CID 39345448) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
PubChem CID39345448
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol
SMILESN[C@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14BrNO/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20/h1-10,17,20H,19H2/t17-/m1/s1
InChIKeyLHJGZPQOUAARIZ-QGZVFWFLSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(R)-amino-(3-bromophenyl)methyl]naphthalen-2-ol
CID 39345444
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
CID 171232072
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol (CID 39345448) is 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol is N[C@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol?
The InChIKey is LHJGZPQOUAARIZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20/h1-10,17,20H,19H2/t17-/m1/s1.
What are the key properties of 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol?
1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol has a molecular weight of 328.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-amino-(4-bromophenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 39345448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).