N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine

C16H19F2NOS — CID 61473448

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NOS/c1-11(8-13-6-7-21-10-13)19-12(2)14-4-3-5-15(9-14)20-16(17)18/h3-7,9-12,16,19H,8H2,1-2H3
InChIKeyBIZJTPJSLUMSBZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.63
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61473448) has the molecular formula C16H19F2NOS and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61473448
Molecular FormulaC16H19F2NOS
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NOS/c1-11(8-13-6-7-21-10-13)19-12(2)14-4-3-5-15(9-14)20-16(17)18/h3-7,9-12,16,19H,8H2,1-2H3
InChIKeyBIZJTPJSLUMSBZ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-bromo-2-[3-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63016507
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 115676401
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 102976414
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-yn-2-amine
CID 114415071
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-en-2-amine
CID 115727882
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473171
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine (CID 61473448) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is BIZJTPJSLUMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NOS/c1-11(8-13-6-7-21-10-13)19-12(2)14-4-3-5-15(9-14)20-16(17)18/h3-7,9-12,16,19H,8H2,1-2H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 311.40 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61473448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).