N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline

C14H19NO — CID 115741866

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline
SMILESCc1ccc(NCC2=CCCOC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-11-5-6-14(12(2)8-11)15-9-13-4-3-7-16-10-13/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyKMZVNIHKQTZFDK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.06
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline (PubChem CID 115741866) 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)-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline
PubChem CID115741866
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline
SMILESCc1ccc(NCC2=CCCOC2)c(C)c1
InChIInChI=1S/C14H19NO/c1-11-5-6-14(12(2)8-11)15-9-13-4-3-7-16-10-13/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyKMZVNIHKQTZFDK-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline (CID 115741866) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline is Cc1ccc(NCC2=CCCOC2)c(C)c1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline?
The InChIKey is KMZVNIHKQTZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-6-14(12(2)8-11)15-9-13-4-3-7-16-10-13/h4-6,8,15H,3,7,9-10H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline has a molecular weight of 217.31 g/mol, XLogP of 3.06, 3 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)-2,4-dimethylaniline is sourced from PubChem (CID 115741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).