N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine

C15H18BrNO2 — CID 106851671

IUPACN-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1ccoc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-9-17-14(13-8-10-19-15(13)16)11-4-6-12(18-2)7-5-11/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyCDOGKJQAUGDDDC-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.14
Rot. Bonds6

About N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 106851671) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID106851671
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1ccoc1Br
InChIInChI=1S/C15H18BrNO2/c1-3-9-17-14(13-8-10-19-15(13)16)11-4-6-12(18-2)7-5-11/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyCDOGKJQAUGDDDC-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
CID 106851925
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 106857785
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(2-bromofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106851959
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
[(2-bromofuran-3-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 106859886

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine (CID 106851671) is N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is CDOGKJQAUGDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-9-17-14(13-8-10-19-15(13)16)11-4-6-12(18-2)7-5-11/h4-8,10,14,17H,3,9H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 324.22 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106851671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).