N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine

C12H20BrNOS — CID 105165472

IUPACN-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNOS/c1-3-5-14-11(8-15-6-4-2)10-7-12(13)16-9-10/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyFMWFKNHQXXNTMS-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.98
Rot. Bonds8

About N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine

N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine (PubChem CID 105165472) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
PubChem CID105165472
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC NameN-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNOS/c1-3-5-14-11(8-15-6-4-2)10-7-12(13)16-9-10/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyFMWFKNHQXXNTMS-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058
1-(5-bromothiophen-3-yl)-N-propylpent-3-yn-1-amine
CID 105112636
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
CID 79575330
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
N-[(5-bromothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 107960818
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine (CID 105165472) is N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1csc(Br)c1.
What is the InChIKey of N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The InChIKey is FMWFKNHQXXNTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-5-14-11(8-15-6-4-2)10-7-12(13)16-9-10/h7,9,11,14H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine has a molecular weight of 306.27 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 105165472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).