1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine

C12H20BrNOS — CID 62604703

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
SMILESCCCOCC(Cc1cc(Br)cs1)NCC
InChIInChI=1S/C12H20BrNOS/c1-3-5-15-8-11(14-4-2)7-12-6-10(13)9-16-12/h6,9,11,14H,3-5,7-8H2,1-2H3
InChIKeyNWMZSBWUYIZEPE-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds8

About 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine

1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine (PubChem CID 62604703) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
PubChem CID62604703
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
SMILESCCCOCC(Cc1cc(Br)cs1)NCC
InChIInChI=1S/C12H20BrNOS/c1-3-5-15-8-11(14-4-2)7-12-6-10(13)9-16-12/h6,9,11,14H,3-5,7-8H2,1-2H3
InChIKeyNWMZSBWUYIZEPE-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
4-bromo-2-(propoxymethyl)thiophene
CID 59332771
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144182
N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642913

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine (CID 62604703) is 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine is CCCOCC(Cc1cc(Br)cs1)NCC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine?
The InChIKey is NWMZSBWUYIZEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-5-15-8-11(14-4-2)7-12-6-10(13)9-16-12/h6,9,11,14H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine is sourced from PubChem (CID 62604703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).