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

C15H18BrNO — CID 106858285

IUPACN-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1ccoc1Br
InChIInChI=1S/C15H18BrNO/c1-3-11-6-5-7-12(10-11)14(17-4-2)13-8-9-18-15(13)16/h5-10,14,17H,3-4H2,1-2H3
InChIKeyODICYTLLPOPKKT-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.30
Rot. Bonds5

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

N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 106858285) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID106858285
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1ccoc1Br
InChIInChI=1S/C15H18BrNO/c1-3-11-6-5-7-12(10-11)14(17-4-2)13-8-9-18-15(13)16/h5-10,14,17H,3-4H2,1-2H3
InChIKeyODICYTLLPOPKKT-UHFFFAOYSA-N
XLogP4.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[(4,5-dibromothiophen-2-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105018887
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine (CID 106858285) is N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is ODICYTLLPOPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-11-6-5-7-12(10-11)14(17-4-2)13-8-9-18-15(13)16/h5-10,14,17H,3-4H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine has a molecular weight of 308.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106858285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).