N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine

C14H15BrFNS — CID 106645278

IUPACN-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNS/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3-7,9,14,17H,2,8H2,1H3
InChIKeyOQWYXXSOZOIHBH-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.74
Rot. Bonds5

About N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 106645278) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID106645278
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1cccc(Br)c1F
InChIInChI=1S/C14H15BrFNS/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3-7,9,14,17H,2,8H2,1H3
InChIKeyOQWYXXSOZOIHBH-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-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205
N-[(4-bromo-5-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 105399182
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106645666
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106645887
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine (CID 106645278) is N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is OQWYXXSOZOIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3-7,9,14,17H,2,8H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]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-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 106645278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).