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

C17H15Cl2NS — CID 107961214

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H15Cl2NS/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
InChIKeyILECQAAFTRQHLE-UHFFFAOYSA-N
MW336.29 g/mol
LogP5.83
Rot. Bonds3

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

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 107961214) has the molecular formula C17H15Cl2NS and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
PubChem CID107961214
Molecular FormulaC17H15Cl2NS
Molecular Weight336.29 g/mol
Exact Mass335.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
SMILESCNC(c1cc(Cl)sc1Cl)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H15Cl2NS/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
InChIKeyILECQAAFTRQHLE-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.29
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
CID 107961061
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43486798
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43486821
1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81428889
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107968230
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 107968631

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine (CID 107961214) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is CNC(c1cc(Cl)sc1Cl)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is ILECQAAFTRQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NS/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-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 336.29 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 107961214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).