1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

C18H18FNS — CID 65239047

IUPAC1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H18FNS/c1-11-10-17(21-12(11)2)18(20-3)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-10,18,20H,1-3H3
InChIKeyPWBVDCVNIJFZHI-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.97
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (PubChem CID 65239047) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
PubChem CID65239047
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1ccc(F)c2ccccc12
InChIInChI=1S/C18H18FNS/c1-11-10-17(21-12(11)2)18(20-3)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-10,18,20H,1-3H3
InChIKeyPWBVDCVNIJFZHI-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluoro-3-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105027103
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 65237793
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 102827456
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 65237462
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (CID 65239047) is 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is CNC(c1cc(C)c(C)s1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is PWBVDCVNIJFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-11-10-17(21-12(11)2)18(20-3)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-10,18,20H,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 65239047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).