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

C15H12BrNOS — CID 43742993

IUPAC5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc(Br)s3)cccc12
InChIInChI=1S/C15H12BrNOS/c16-15-8-7-10(19-15)9-17-13-5-1-4-12-11(13)3-2-6-14(12)18/h1-8,17-18H,9H2
InChIKeyOFRTYRHHGCPLIB-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.98
Rot. Bonds3

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

5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol (PubChem CID 43742993) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
PubChem CID43742993
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc(Br)s3)cccc12
InChIInChI=1S/C15H12BrNOS/c16-15-8-7-10(19-15)9-17-13-5-1-4-12-11(13)3-2-6-14(12)18/h1-8,17-18H,9H2
InChIKeyOFRTYRHHGCPLIB-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

5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43743059
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
5-(1H-pyrrol-2-ylmethylamino)naphthalen-1-ol
CID 62327867
4-[(5-bromothiophen-2-yl)methylamino]quinazoline-2-carboxylic acid
CID 62405169
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692092
6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595487
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
CID 102830047
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol (CID 43742993) is 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol is Oc1cccc2c(NCc3ccc(Br)s3)cccc12.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
The InChIKey is OFRTYRHHGCPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c16-15-8-7-10(19-15)9-17-13-5-1-4-12-11(13)3-2-6-14(12)18/h1-8,17-18H,9H2.
What are the key properties of 5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol?
5-[(5-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-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 43742993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).