N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine

C14H15BrFNS — CID 61102833

IUPACN-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-9-17-14(12-7-8-13(15)18-12)10-5-3-4-6-11(10)16/h3-8,14,17H,2,9H2,1H3
InChIKeyPRCJBOFAFCBGMC-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.74
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine

N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 61102833) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
PubChem CID61102833
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-9-17-14(12-7-8-13(15)18-12)10-5-3-4-6-11(10)16/h3-8,14,17H,2,9H2,1H3
InChIKeyPRCJBOFAFCBGMC-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503607
N-[(4-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503772
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495485
N-[(5-bromothiophen-2-yl)-(2,6-dichlorophenyl)methyl]propan-1-amine
CID 63502746
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 61103990
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
CID 115827907
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(5-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237372

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine (CID 61102833) is N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)s1)c1ccccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is PRCJBOFAFCBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-9-17-14(12-7-8-13(15)18-12)10-5-3-4-6-11(10)16/h3-8,14,17H,2,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 61102833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).