N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C16H19F2NS — CID 43722970

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(NC(c1cccs1)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2NS/c1-10(2)16(15-5-4-8-20-15)19-11(3)12-6-7-13(17)14(18)9-12/h4-11,16,19H,1-3H3
InChIKeyLYCAYFGWZWGUJO-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.07
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43722970) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43722970
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(NC(c1cccs1)C(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2NS/c1-10(2)16(15-5-4-8-20-15)19-11(3)12-6-7-13(17)14(18)9-12/h4-11,16,19H,1-3H3
InChIKeyLYCAYFGWZWGUJO-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3,4-difluorophenyl)ethylamino]-thiophen-2-ylmethyl]aniline
CID 18334203
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
2-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 61086178
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 83069697
(1S)-N-(dithiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81353521
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 83117522
5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43722930

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43722970) is N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(NC(c1cccs1)C(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is LYCAYFGWZWGUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-10(2)16(15-5-4-8-20-15)19-11(3)12-6-7-13(17)14(18)9-12/h4-11,16,19H,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43722970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).