5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol

C15H12BrNOS — CID 43743059

IUPAC5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3cc(Br)cs3)cccc12
InChIInChI=1S/C15H12BrNOS/c16-10-7-11(19-9-10)8-17-14-5-1-4-13-12(14)3-2-6-15(13)18/h1-7,9,17-18H,8H2
InChIKeyULIAWELAKGRDMF-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.98
Rot. Bonds3

About 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol

5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol (PubChem CID 43743059) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
PubChem CID43743059
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3cc(Br)cs3)cccc12
InChIInChI=1S/C15H12BrNOS/c16-10-7-11(19-9-10)8-17-14-5-1-4-13-12(14)3-2-6-15(13)18/h1-7,9,17-18H,8H2
InChIKeyULIAWELAKGRDMF-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43742993
1-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzene-1,2-diamine
CID 104834597
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
3-[(4-bromothiophen-2-yl)methylamino]-2-methylbenzoic acid
CID 43737378
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860
ethyl 2-amino-3-[(4-bromothiophen-2-yl)methylamino]benzoate
CID 115546280
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
CID 43721999
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
CID 28972942

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol (CID 43743059) is 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol is Oc1cccc2c(NCc3cc(Br)cs3)cccc12.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The InChIKey is ULIAWELAKGRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c16-10-7-11(19-9-10)8-17-14-5-1-4-13-12(14)3-2-6-15(13)18/h1-7,9,17-18H,8H2.
What are the key properties of 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol has a molecular weight of 334.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 43743059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).