N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

C16H20BrNO — CID 63944020

IUPACN-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1occc1Br
InChIInChI=1S/C16H20BrNO/c1-3-9-18-15(16-14(17)8-10-19-16)11-13-7-5-4-6-12(13)2/h4-8,10,15,18H,3,9,11H2,1-2H3
InChIKeyWIHILGXREDLEOW-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 63944020) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID63944020
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1occc1Br
InChIInChI=1S/C16H20BrNO/c1-3-9-18-15(16-14(17)8-10-19-16)11-13-7-5-4-6-12(13)2/h4-8,10,15,18H,3,9,11H2,1-2H3
InChIKeyWIHILGXREDLEOW-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
N-[1-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528282

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 63944020) is N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is WIHILGXREDLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-9-18-15(16-14(17)8-10-19-16)11-13-7-5-4-6-12(13)2/h4-8,10,15,18H,3,9,11H2,1-2H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63944020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).