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

C12H13F2NO — CID 62066136

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
SMILESFc1ccc(NCC2CCC=CO2)c(F)c1
InChIInChI=1S/C12H13F2NO/c13-9-4-5-12(11(14)7-9)15-8-10-3-1-2-6-16-10/h2,4-7,10,15H,1,3,8H2
InChIKeyWAZDASRHNROPBT-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.07
Rot. Bonds3

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline (PubChem CID 62066136) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
PubChem CID62066136
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
SMILESFc1ccc(NCC2CCC=CO2)c(F)c1
InChIInChI=1S/C12H13F2NO/c13-9-4-5-12(11(14)7-9)15-8-10-3-1-2-6-16-10/h2,4-7,10,15H,1,3,8H2
InChIKeyWAZDASRHNROPBT-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]-5-fluorobenzonitrile
CID 124571569
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-fluorobenzoate
CID 62065809
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
CID 107240750
4-bromo-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-fluoroaniline
CID 65433520
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-dimethoxyaniline
CID 62066694
5-bromo-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylaniline
CID 62066171
3-chloro-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)benzonitrile
CID 107807172
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62064908
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
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one
CID 124621841
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-ethylsulfanylaniline
CID 62064419

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline (CID 62066136) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline is Fc1ccc(NCC2CCC=CO2)c(F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline?
The InChIKey is WAZDASRHNROPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-4-5-12(11(14)7-9)15-8-10-3-1-2-6-16-10/h2,4-7,10,15H,1,3,8H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline has a molecular weight of 225.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline is sourced from PubChem (CID 62066136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).