1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

C14H18BrNO — CID 102648834

IUPAC1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(16-2)13-5-3-4-6-17-13/h5,7-9,14,16H,3-4,6H2,1-2H3
InChIKeyVHFOVUHKOVYOOT-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.71
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (PubChem CID 102648834) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
PubChem CID102648834
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(16-2)13-5-3-4-6-17-13/h5,7-9,14,16H,3-4,6H2,1-2H3
InChIKeyVHFOVUHKOVYOOT-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-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
1-(5-bromo-4-methylthiophen-2-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649096
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
1-(5-bromothiophen-3-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652893
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907
1-(3,4-dihydro-2H-pyran-6-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 102647397
1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (CID 102648834) is 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is CNC(C1=CCCCO1)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The InChIKey is VHFOVUHKOVYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-7-11(9-12(15)8-10)14(16-2)13-5-3-4-6-17-13/h5,7-9,14,16H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-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-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is sourced from PubChem (CID 102648834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).