N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine

C13H14FNS — CID 122165798

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)s2)cc1
InChIInChI=1S/C13H14FNS/c1-10-2-4-11(5-3-10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3
InChIKeyNRYUWKYEYPAUOG-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.49
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine

N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 122165798) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID122165798
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)s2)cc1
InChIInChI=1S/C13H14FNS/c1-10-2-4-11(5-3-10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3
InChIKeyNRYUWKYEYPAUOG-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(4-methylphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675383
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
N-[(5-fluorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 122165792
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
CID 126963998
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 65246200
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(5-fluorothiophen-2-yl)methanamine
CID 122165826
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine (CID 122165798) is N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccc(F)s2)cc1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is NRYUWKYEYPAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-10-2-4-11(5-3-10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine?
N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 122165798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).