N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine

C18H18ClNS — CID 79809208

IUPACN-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H18ClNS/c1-3-20-18(16-11-21-10-12(16)2)15-8-9-17(19)14-7-5-4-6-13(14)15/h4-11,18,20H,3H2,1-2H3
InChIKeyFYNWPQONTMOXAY-UHFFFAOYSA-N
MW315.87 g/mol
LogP5.56
Rot. Bonds4

About N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine

N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 79809208) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID79809208
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC NameN-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H18ClNS/c1-3-20-18(16-11-21-10-12(16)2)15-8-9-17(19)14-7-5-4-6-13(14)15/h4-11,18,20H,3H2,1-2H3
InChIKeyFYNWPQONTMOXAY-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096
N-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
N-[(4-bromo-5-chloro-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 105398960
N-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
[(2-chlorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251671
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114658411
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
6-chloro-5-[ethylamino-(4-methylthiophen-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79810168
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518952
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine (CID 79809208) is N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1cscc1C)c1ccc(Cl)c2ccccc12.
What is the InChIKey of N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is FYNWPQONTMOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-3-20-18(16-11-21-10-12(16)2)15-8-9-17(19)14-7-5-4-6-13(14)15/h4-11,18,20H,3H2,1-2H3.
What are the key properties of N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 315.87 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 79809208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).