1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

C13H16BrNO — CID 102652981

IUPAC1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrNO/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-3-5-16-12/h4,6-8,13,15H,3,5H2,1-2H3
InChIKeyCYMADJDKMNCRFT-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.32
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (PubChem CID 102652981) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
PubChem CID102652981
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H16BrNO/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-3-5-16-12/h4,6-8,13,15H,3,5H2,1-2H3
InChIKeyCYMADJDKMNCRFT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482
1-(5-bromothiophen-3-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652893
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652031
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 102652299
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (CID 102652981) is 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is CNC(C1=CCCO1)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The InChIKey is CYMADJDKMNCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-6-10(8-11(14)7-9)13(15-2)12-4-3-5-16-12/h4,6-8,13,15H,3,5H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine has a molecular weight of 282.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 102652981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).