N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine

C16H19BrFNOS — CID 81302393

IUPACN-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc(OC)cc1F
InChIInChI=1S/C16H19BrFNOS/c1-3-8-19-15(10-12-5-7-16(17)21-12)13-6-4-11(20-2)9-14(13)18/h4-7,9,15,19H,3,8,10H2,1-2H3
InChIKeyNXNYBAPKPNYANL-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.94
Rot. Bonds7

About N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine

N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 81302393) has the molecular formula C16H19BrFNOS and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID81302393
Molecular FormulaC16H19BrFNOS
Molecular Weight372.30 g/mol
Exact Mass371.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc(OC)cc1F
InChIInChI=1S/C16H19BrFNOS/c1-3-8-19-15(10-12-5-7-16(17)21-12)13-6-4-11(20-2)9-14(13)18/h4-7,9,15,19H,3,8,10H2,1-2H3
InChIKeyNXNYBAPKPNYANL-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065400
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 65325570
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine (CID 81302393) is N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1ccc(OC)cc1F.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is NXNYBAPKPNYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNOS/c1-3-8-19-15(10-12-5-7-16(17)21-12)13-6-4-11(20-2)9-14(13)18/h4-7,9,15,19H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 372.30 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81302393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).