N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine

C14H15F2NS — CID 65246330

IUPACN-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCc2cc(F)ccc2F)sc1C
InChIInChI=1S/C14H15F2NS/c1-9-5-13(18-10(9)2)8-17-7-11-6-12(15)3-4-14(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyHNTSVKKNMQMJFJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.93
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine

N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65246330) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65246330
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCc2cc(F)ccc2F)sc1C
InChIInChI=1S/C14H15F2NS/c1-9-5-13(18-10(9)2)8-17-7-11-6-12(15)3-4-14(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyHNTSVKKNMQMJFJ-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575
1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 114452944
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894885
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
1-(3-bromo-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79710421
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine (CID 65246330) is N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(CNCc2cc(F)ccc2F)sc1C.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is HNTSVKKNMQMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9-5-13(18-10(9)2)8-17-7-11-6-12(15)3-4-14(11)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65246330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).