N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline

C15H21NO3 — CID 62066354

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCC2CCC=CO2)cc1OC
InChIInChI=1S/C15H21NO3/c1-11-8-14(17-2)15(18-3)9-13(11)16-10-12-6-4-5-7-19-12/h5,7-9,12,16H,4,6,10H2,1-3H3
InChIKeyWSKWLMCTAKQMDM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.12
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline (PubChem CID 62066354) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline
PubChem CID62066354
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCC2CCC=CO2)cc1OC
InChIInChI=1S/C15H21NO3/c1-11-8-14(17-2)15(18-3)9-13(11)16-10-12-6-4-5-7-19-12/h5,7-9,12,16H,4,6,10H2,1-3H3
InChIKeyWSKWLMCTAKQMDM-UHFFFAOYSA-N
XLogP3.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-dimethoxyaniline
CID 62066694
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-dimethyl-5-nitroaniline
CID 104757629
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-methylbenzoate
CID 55030210
3-(difluoromethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxyaniline
CID 62066734
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methoxybenzonitrile
CID 107466686
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-fluorobenzoate
CID 62065809
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
CID 62066136
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoate
CID 62065247
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethylsulfanylaniline
CID 62064419
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62066733

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline (CID 62066354) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NCC2CCC=CO2)cc1OC.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline?
The InChIKey is WSKWLMCTAKQMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-8-14(17-2)15(18-3)9-13(11)16-10-12-6-4-5-7-19-12/h5,7-9,12,16H,4,6,10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline has a molecular weight of 263.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 62066354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).