1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

C17H15Br2NS — CID 107961216

IUPAC1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cc(Br)sc1Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H15Br2NS/c1-10-7-8-11-5-3-4-6-12(11)15(10)16(20-2)13-9-14(18)21-17(13)19/h3-9,16,20H,1-2H3
InChIKeyVKQGYHVKQWSGTF-UHFFFAOYSA-N
MW425.19 g/mol
LogP6.04
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine

1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 107961216) has the molecular formula C17H15Br2NS and a molecular weight of 425.19 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
PubChem CID107961216
Molecular FormulaC17H15Br2NS
Molecular Weight425.19 g/mol
Exact Mass422.93
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cc(Br)sc1Br)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H15Br2NS/c1-10-7-8-11-5-3-4-6-12(11)15(10)16(20-2)13-9-14(18)21-17(13)19/h3-9,16,20H,1-2H3
InChIKeyVKQGYHVKQWSGTF-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.19
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81428889
1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81432132
[(2,5-dibromothiophen-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 107970229
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43486963
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107961308
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
CID 81432825
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (CID 107961216) is 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is CNC(c1cc(Br)sc1Br)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is VKQGYHVKQWSGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NS/c1-10-7-8-11-5-3-4-6-12(11)15(10)16(20-2)13-9-14(18)21-17(13)19/h3-9,16,20H,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 425.19 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 107961216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).