N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine

C16H19BrFNS — CID 43494301

IUPACN-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1ccc(CC)s1
InChIInChI=1S/C16H19BrFNS/c1-3-7-19-16(15-6-5-14(4-2)20-15)11-8-12(17)10-13(18)9-11/h5-6,8-10,16,19H,3-4,7H2,1-2H3
InChIKeyAHMPACVIOKHJEF-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.30
Rot. Bonds6

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

N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43494301) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43494301
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1ccc(CC)s1
InChIInChI=1S/C16H19BrFNS/c1-3-7-19-16(15-6-5-14(4-2)20-15)11-8-12(17)10-13(18)9-11/h5-6,8-10,16,19H,3-4,7H2,1-2H3
InChIKeyAHMPACVIOKHJEF-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79746861
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730
N-[(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104851227
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287
N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 107515364
N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 43494532

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine (CID 43494301) is N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(F)cc(Br)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is AHMPACVIOKHJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-3-7-19-16(15-6-5-14(4-2)20-15)11-8-12(17)10-13(18)9-11/h5-6,8-10,16,19H,3-4,7H2,1-2H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43494301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).