6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine

C17H16BrNS — CID 81260087

IUPAC6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
SMILESCCc1ccc(CNc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C17H16BrNS/c1-2-16-7-8-17(20-16)11-19-15-6-4-12-9-14(18)5-3-13(12)10-15/h3-10,19H,2,11H2,1H3
InChIKeySKBURJZFBOIOKJ-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.84
Rot. Bonds4

About 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine

6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine (PubChem CID 81260087) has the molecular formula C17H16BrNS and a molecular weight of 346.29 g/mol. Its IUPAC name is 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
PubChem CID81260087
Molecular FormulaC17H16BrNS
Molecular Weight346.29 g/mol
Exact Mass345.02
IUPAC Name6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
SMILESCCc1ccc(CNc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C17H16BrNS/c1-2-16-7-8-17(20-16)11-19-15-6-4-12-9-14(18)5-3-13(12)10-15/h3-10,19H,2,11H2,1H3
InChIKeySKBURJZFBOIOKJ-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81259786
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
2-bromo-4-[(5-ethylthiophen-2-yl)methylamino]benzenecarbothioamide
CID 106010373
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 65489813
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine (CID 81260087) is 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine is CCc1ccc(CNc2ccc3cc(Br)ccc3c2)s1.
What is the InChIKey of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine?
The InChIKey is SKBURJZFBOIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS/c1-2-16-7-8-17(20-16)11-19-15-6-4-12-9-14(18)5-3-13(12)10-15/h3-10,19H,2,11H2,1H3.
What are the key properties of 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine has a molecular weight of 346.29 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81260087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).