N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

C15H19FN2S — CID 115804512

IUPACN-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1ccc(CC)s1
InChIInChI=1S/C15H19FN2S/c1-3-7-18-15(11-8-12(16)10-17-9-11)14-6-5-13(4-2)19-14/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyDZOKQDVOJNLQPW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.93
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine

N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115804512) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
PubChem CID115804512
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1ccc(CC)s1
InChIInChI=1S/C15H19FN2S/c1-3-7-18-15(11-8-12(16)10-17-9-11)14-6-5-13(4-2)19-14/h5-6,8-10,15,18H,3-4,7H2,1-2H3
InChIKeyDZOKQDVOJNLQPW-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494301
N-[(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79746861
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805273
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 107515364
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105050309
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine (CID 115804512) is N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(F)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is DZOKQDVOJNLQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-7-18-15(11-8-12(16)10-17-9-11)14-6-5-13(4-2)19-14/h5-6,8-10,15,18H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine?
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115804512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).