N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine

C14H19NO — CID 115741761

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine
SMILESCC(NCC1=CCCOC1)c1ccccc1
InChIInChI=1S/C14H19NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,12,15H,5,9-11H2,1H3
InChIKeyWBJQHHYETXHLDP-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.68
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine (PubChem CID 115741761) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine
PubChem CID115741761
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine
SMILESCC(NCC1=CCCOC1)c1ccccc1
InChIInChI=1S/C14H19NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,12,15H,5,9-11H2,1H3
InChIKeyWBJQHHYETXHLDP-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 115742030
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine (CID 115741761) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine is CC(NCC1=CCCOC1)c1ccccc1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine?
The InChIKey is WBJQHHYETXHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(14-7-3-2-4-8-14)15-10-13-6-5-9-16-11-13/h2-4,6-8,12,15H,5,9-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 115741761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).