N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine

C16H14FNS — CID 105371129

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
SMILESCc1ccc(F)cc1CNc1ccc2sccc2c1
InChIInChI=1S/C16H14FNS/c1-11-2-3-14(17)8-13(11)10-18-15-4-5-16-12(9-15)6-7-19-16/h2-9,18H,10H2,1H3
InChIKeyWLAVLMUALOYFOW-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.96
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine

N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 105371129) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
PubChem CID105371129
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
SMILESCc1ccc(F)cc1CNc1ccc2sccc2c1
InChIInChI=1S/C16H14FNS/c1-11-2-3-14(17)8-13(11)10-18-15-4-5-16-12(9-15)6-7-19-16/h2-9,18H,10H2,1H3
InChIKeyWLAVLMUALOYFOW-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
CID 65473524
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 43687874
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103944201
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine (CID 105371129) is N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine is Cc1ccc(F)cc1CNc1ccc2sccc2c1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is WLAVLMUALOYFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c1-11-2-3-14(17)8-13(11)10-18-15-4-5-16-12(9-15)6-7-19-16/h2-9,18H,10H2,1H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 271.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 105371129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).