N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine

C16H20BrNO — CID 105018504

IUPACN-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccc(Br)o1
InChIInChI=1S/C16H20BrNO/c1-3-10-18-16(14-8-9-15(17)19-14)13-7-5-6-12(4-2)11-13/h5-9,11,16,18H,3-4,10H2,1-2H3
InChIKeyRXOQDUYHIKDBEE-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.69
Rot. Bonds6

About N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine (PubChem CID 105018504) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
PubChem CID105018504
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccc(Br)o1
InChIInChI=1S/C16H20BrNO/c1-3-10-18-16(14-8-9-15(17)19-14)13-7-5-6-12(4-2)11-13/h5-9,11,16,18H,3-4,10H2,1-2H3
InChIKeyRXOQDUYHIKDBEE-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 43495744
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013
N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine
CID 103136300

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine (CID 105018504) is N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine?
The InChIKey is RXOQDUYHIKDBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-10-18-16(14-8-9-15(17)19-14)13-7-5-6-12(4-2)11-13/h5-9,11,16,18H,3-4,10H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105018504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).