N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine

C14H16FNS — CID 62791707

IUPACN-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(F)c(C)c1
InChIInChI=1S/C14H16FNS/c1-3-16-14(12-6-7-17-9-12)11-4-5-13(15)10(2)8-11/h4-9,14,16H,3H2,1-2H3
InChIKeySBROIGBSFYPFHY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.89
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 62791707) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID62791707
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc(F)c(C)c1
InChIInChI=1S/C14H16FNS/c1-3-16-14(12-6-7-17-9-12)11-4-5-13(15)10(2)8-11/h4-9,14,16H,3H2,1-2H3
InChIKeySBROIGBSFYPFHY-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 106878151
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
3-[bromo-(4-fluoro-3-methylphenyl)methyl]thiophene
CID 79746992
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
N-[(4-bromo-3-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81290677
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine (CID 62791707) is N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is SBROIGBSFYPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-14(12-6-7-17-9-12)11-4-5-13(15)10(2)8-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 62791707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).