1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

C18H18FNS — CID 79973815

IUPAC1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H18FNS/c1-3-12-10-11-21-18(12)17(20-2)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-11,17,20H,3H2,1-2H3
InChIKeyMWSSZVMJIVVRDG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.91
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (PubChem CID 79973815) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
PubChem CID79973815
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H18FNS/c1-3-12-10-11-21-18(12)17(20-2)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-11,17,20H,3H2,1-2H3
InChIKeyMWSSZVMJIVVRDG-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
[(3-ethylthiophen-2-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105301201
(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 115797090
1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047457
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985467
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
CID 104997344
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79985462

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (CID 79973815) is 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is CCc1ccsc1C(NC)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is MWSSZVMJIVVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-3-12-10-11-21-18(12)17(20-2)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-11,17,20H,3H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 79973815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).