1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine

C8H12FNS — CID 167348243

IUPAC1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine
SMILESCc1sc(CN(C)C)cc1F
InChIInChI=1S/C8H12FNS/c1-6-8(9)4-7(11-6)5-10(2)3/h4H,5H2,1-3H3
InChIKeyJLLWRTJUCCRLAP-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine

1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine (PubChem CID 167348243) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine
PubChem CID167348243
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine
SMILESCc1sc(CN(C)C)cc1F
InChIInChI=1S/C8H12FNS/c1-6-8(9)4-7(11-6)5-10(2)3/h4H,5H2,1-3H3
InChIKeyJLLWRTJUCCRLAP-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 961381
1-(2-Thienylmethyl)azepane
CID 791429
2-(Dimethylamino)-2-(thiophen-2-yl)acetonitrile
CID 10702333
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
2-Thenylamine, N,N-bis(2-chloroethyl)-5-methyl-, hydrochloride
CID 203606
Cambridge id 5425530
CID 757773
4-(2-Thienylmethyl)thiomorpholine
CID 792399
2-CH2CH2Nme2 thiophene
CID 12646507
1-[(5-Methylthiophen-2-yl)methyl]piperidine
CID 71347301
2-Thenylamine, N,N-bis(2-bromoethyl)-5-methyl-
CID 147005

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine (CID 167348243) is 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine is Cc1sc(CN(C)C)cc1F.
What is the InChIKey of 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine?
The InChIKey is JLLWRTJUCCRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-6-8(9)4-7(11-6)5-10(2)3/h4H,5H2,1-3H3.
What are the key properties of 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine?
1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine has a molecular weight of 173.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methylthiophen-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 167348243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).