N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine

C16H23NO2 — CID 105033280

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H23NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,16-17H,4-6,9H2,1-3H3
InChIKeyXVVFTDGCNQTNIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.35
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 105033280) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID105033280
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H23NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,16-17H,4-6,9H2,1-3H3
InChIKeyXVVFTDGCNQTNIY-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 62505245
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 114894935
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 107968989
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
N-[(4-chloro-2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105033083
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81157380

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 105033280) is N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(C1=COCCC1)c1cc(C)ccc1OC.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is XVVFTDGCNQTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10-11,16-17H,4-6,9H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105033280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).