1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine

C17H25NO — CID 105033012

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(CC)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-16(14-9-6-5-7-10-14)17(18-4-2)15-11-8-12-19-13-15/h5-7,9-10,13,16-18H,3-4,8,11-12H2,1-2H3
InChIKeyFEYZGEVGDANIPW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.85
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 105033012) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID105033012
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(CC)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-16(14-9-6-5-7-10-14)17(18-4-2)15-11-8-12-19-13-15/h5-7,9-10,13,16-18H,3-4,8,11-12H2,1-2H3
InChIKeyFEYZGEVGDANIPW-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
CID 63505814
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
CID 116717301
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105033154
N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118
1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 63502079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine (CID 105033012) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine is CCNC(C1=COCCC1)C(CC)c1ccccc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is FEYZGEVGDANIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-16(14-9-6-5-7-10-14)17(18-4-2)15-11-8-12-19-13-15/h5-7,9-10,13,16-18H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105033012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).