N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

C16H19F2NOS — CID 43098513

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2ccccc2OC(F)F)c(C)s1
InChIInChI=1S/C16H19F2NOS/c1-10-8-14(12(3)21-10)11(2)19-9-13-6-4-5-7-15(13)20-16(17)18/h4-8,11,16,19H,9H2,1-3H3
InChIKeyLUGXQJYBGVOJSW-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.82
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 43098513) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID43098513
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2ccccc2OC(F)F)c(C)s1
InChIInChI=1S/C16H19F2NOS/c1-10-8-14(12(3)21-10)11(2)19-9-13-6-4-5-7-15(13)20-16(17)18/h4-8,11,16,19H,9H2,1-3H3
InChIKeyLUGXQJYBGVOJSW-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
CID 66418816
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 28661741
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61374587
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122
(1S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
CID 28661843
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29281708
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 43098513) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)NCc2ccccc2OC(F)F)c(C)s1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is LUGXQJYBGVOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-10-8-14(12(3)21-10)11(2)19-9-13-6-4-5-7-15(13)20-16(17)18/h4-8,11,16,19H,9H2,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 311.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 43098513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).