N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

C14H15BrFNO — CID 115861624

IUPACN-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)c1occc1Br
InChIInChI=1S/C14H15BrFNO/c1-3-17-13(14-11(15)7-8-18-14)10-6-4-5-9(2)12(10)16/h4-8,13,17H,3H2,1-2H3
InChIKeyUNWPEJMJTDQISE-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.19
Rot. Bonds4

About N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 115861624) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID115861624
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)c1occc1Br
InChIInChI=1S/C14H15BrFNO/c1-3-17-13(14-11(15)7-8-18-14)10-6-4-5-9(2)12(10)16/h4-8,13,17H,3H2,1-2H3
InChIKeyUNWPEJMJTDQISE-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861384
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
N-[(3-bromofuran-2-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 115861367
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
N-[(3-bromofuran-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115861355
N-[(3-bromofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 115861522
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (CID 115861624) is N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1F)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is UNWPEJMJTDQISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-3-17-13(14-11(15)7-8-18-14)10-6-4-5-9(2)12(10)16/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 312.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115861624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).