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

C12H20BrNOS — CID 79575330

IUPACN-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-7-14-10(9-15-8-4-2)11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyZZHIKWDGFLEHJD-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.98
Rot. Bonds8

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

N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine (PubChem CID 79575330) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
PubChem CID79575330
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC NameN-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-7-14-10(9-15-8-4-2)11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyZZHIKWDGFLEHJD-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

N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 65325570
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
N-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809
N-[1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049296
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
1-(5-bromothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 61103795
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine (CID 79575330) is N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine?
The InChIKey is ZZHIKWDGFLEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-7-14-10(9-15-8-4-2)11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine?
N-[1-(5-bromothiophen-2-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-2-yl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 79575330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).