1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine

C10H16BrNOS — CID 116715037

IUPAC1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-3-9(13-2)8(12)6-7-4-5-10(11)14-7/h4-5,8-9H,3,6,12H2,1-2H3
InChIKeyAKVDMTWNEXOKED-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine

1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine (PubChem CID 116715037) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
PubChem CID116715037
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C10H16BrNOS/c1-3-9(13-2)8(12)6-7-4-5-10(11)14-7/h4-5,8-9H,3,6,12H2,1-2H3
InChIKeyAKVDMTWNEXOKED-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758429

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine (CID 116715037) is 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine?
The InChIKey is AKVDMTWNEXOKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-9(13-2)8(12)6-7-4-5-10(11)14-7/h4-5,8-9H,3,6,12H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine?
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine has a molecular weight of 278.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).