1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

C14H18BrNO — CID 107985362

IUPAC1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1cccc(C)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-5-3-7-12(13(10)15)14(16-2)11-6-4-8-17-9-11/h3,5,7,9,14,16H,4,6,8H2,1-2H3
InChIKeyWSWZWKAFCPHNPR-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.71
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (PubChem CID 107985362) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
PubChem CID107985362
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1cccc(C)c1Br
InChIInChI=1S/C14H18BrNO/c1-10-5-3-7-12(13(10)15)14(16-2)11-6-4-8-17-9-11/h3,5,7,9,14,16H,4,6,8H2,1-2H3
InChIKeyWSWZWKAFCPHNPR-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
1-(3,4-dihydro-2H-pyran-5-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105033185
1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 113370643
1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
(3-bromo-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033406
1-(4-bromo-3-fluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033121
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105333174
[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
1-(4-chloro-2,5-difluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033221

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (CID 107985362) is 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is CNC(C1=COCCC1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The InChIKey is WSWZWKAFCPHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-5-3-7-12(13(10)15)14(16-2)11-6-4-8-17-9-11/h3,5,7,9,14,16H,4,6,8H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine has a molecular weight of 296.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 107985362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).