N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline

C15H21NO2 — CID 62064376

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)18-14-8-6-13(7-9-14)16-11-15-5-3-4-10-17-15/h4,6-10,12,15-16H,3,5,11H2,1-2H3
InChIKeyCMFNKVMVGRVQCD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.58
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline (PubChem CID 62064376) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
PubChem CID62064376
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)18-14-8-6-13(7-9-14)16-11-15-5-3-4-10-17-15/h4,6-10,12,15-16H,3,5,11H2,1-2H3
InChIKeyCMFNKVMVGRVQCD-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-(2-methoxyethoxy)aniline
CID 55030880
propan-2-yl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzoate
CID 62064207
3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
CID 62066716
3-(difluoromethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methoxyaniline
CID 62066734
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
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
3,4-dichloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 62064185
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline
CID 62064732

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline (CID 62064376) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCC2CCC=CO2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is CMFNKVMVGRVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)18-14-8-6-13(7-9-14)16-11-15-5-3-4-10-17-15/h4,6-10,12,15-16H,3,5,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 247.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 62064376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).