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

C16H14BrNS — CID 81259786

IUPAC6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine
SMILESCc1ccc(CNc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C16H14BrNS/c1-11-2-7-16(19-11)10-18-15-6-4-12-8-14(17)5-3-13(12)9-15/h2-9,18H,10H2,1H3
InChIKeyTYOGIVPTDWKJMK-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.58
Rot. Bonds3

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

6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine (PubChem CID 81259786) has the molecular formula C16H14BrNS and a molecular weight of 332.27 g/mol. Its IUPAC name is 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine
PubChem CID81259786
Molecular FormulaC16H14BrNS
Molecular Weight332.27 g/mol
Exact Mass331.00
IUPAC Name6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine
SMILESCc1ccc(CNc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C16H14BrNS/c1-11-2-7-16(19-11)10-18-15-6-4-12-8-14(17)5-3-13(12)9-15/h2-9,18H,10H2,1H3
InChIKeyTYOGIVPTDWKJMK-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
6-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528435
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
CID 81260326
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine (CID 81259786) is 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine is Cc1ccc(CNc2ccc3cc(Br)ccc3c2)s1.
What is the InChIKey of 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine?
The InChIKey is TYOGIVPTDWKJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNS/c1-11-2-7-16(19-11)10-18-15-6-4-12-8-14(17)5-3-13(12)9-15/h2-9,18H,10H2,1H3.
What are the key properties of 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine has a molecular weight of 332.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-methylthiophen-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81259786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).