N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline

C15H21NO3 — CID 55030880

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO3/c1-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-2-3-9-18-15/h3,5-9,15-16H,2,4,10-12H2,1H3
InChIKeyBDCVMLKJTGLZOD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline (PubChem CID 55030880) 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-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline
PubChem CID55030880
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO3/c1-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-2-3-9-18-15/h3,5-9,15-16H,2,4,10-12H2,1H3
InChIKeyBDCVMLKJTGLZOD-UHFFFAOYSA-N
XLogP2.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
CID 62066716
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-dimethoxyaniline
CID 62066694
propan-2-yl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoate
CID 62064207
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 62064398
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-nitroaniline
CID 62064727
N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
CID 66350323
3,4-dichloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 62064185
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
3-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propoxyaniline
CID 55030643
3-(difluoromethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxyaniline
CID 62066734
4-[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]butanenitrile
CID 62065096

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline (CID 55030880) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline is COCCOc1ccc(NCC2CCC=CO2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline?
The InChIKey is BDCVMLKJTGLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-2-3-9-18-15/h3,5-9,15-16H,2,4,10-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.82, 7 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-(2-methoxyethoxy)aniline is sourced from PubChem (CID 55030880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).