1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine

C14H16BrNO2 — CID 106857738

IUPAC1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2ccoc2Br)cc1
InChIInChI=1S/C14H16BrNO2/c1-17-11-5-2-10(3-6-11)4-7-13(16)12-8-9-18-14(12)15/h2-3,5-6,8-9,13H,4,7,16H2,1H3
InChIKeyPCJHITMDPKYNIH-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.68
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine

1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 106857738) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID106857738
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2ccoc2Br)cc1
InChIInChI=1S/C14H16BrNO2/c1-17-11-5-2-10(3-6-11)4-7-13(16)12-8-9-18-14(12)15/h2-3,5-6,8-9,13H,4,7,16H2,1H3
InChIKeyPCJHITMDPKYNIH-UHFFFAOYSA-N
XLogP3.68
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
CID 104789711
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine (CID 106857738) is 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CCC(N)c2ccoc2Br)cc1.
What is the InChIKey of 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is PCJHITMDPKYNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-17-11-5-2-10(3-6-11)4-7-13(16)12-8-9-18-14(12)15/h2-3,5-6,8-9,13H,4,7,16H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine?
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 310.19 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 106857738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).