2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine

C14H16BrNO2 — CID 117240560

IUPAC2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCC(CN)c2ccc(Br)o2)c1
InChIInChI=1S/C14H16BrNO2/c1-10-3-2-4-12(7-10)17-9-11(8-16)13-5-6-14(15)18-13/h2-7,11H,8-9,16H2,1H3
InChIKeyVYUIJBIVARZFLO-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.47
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine

2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine (PubChem CID 117240560) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
PubChem CID117240560
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OCC(CN)c2ccc(Br)o2)c1
InChIInChI=1S/C14H16BrNO2/c1-10-3-2-4-12(7-10)17-9-11(8-16)13-5-6-14(15)18-13/h2-7,11H,8-9,16H2,1H3
InChIKeyVYUIJBIVARZFLO-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
2-(5-chlorofuran-2-yl)-3-(3-methoxyphenoxy)propan-1-amine
CID 117240604
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
CID 117240583
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 117240547
1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 117240114
4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516897
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
CID 112516545
3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine (CID 117240560) is 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine is Cc1cccc(OCC(CN)c2ccc(Br)o2)c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is VYUIJBIVARZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-3-2-4-12(7-10)17-9-11(8-16)13-5-6-14(15)18-13/h2-7,11H,8-9,16H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine?
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 310.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 117240560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).