N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide

C14H20F2N2O2 — CID 103205538

IUPACN-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)CCOCC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-2-18(9-11-3-5-12(17)6-4-11)14(19)7-8-20-10-13(15)16/h3-6,13H,2,7-10,17H2,1H3
InChIKeyMHVXAXISUASOIK-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.29
Rot. Bonds8

About N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide

N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide (PubChem CID 103205538) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
PubChem CID103205538
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)CCOCC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-2-18(9-11-3-5-12(17)6-4-11)14(19)7-8-20-10-13(15)16/h3-6,13H,2,7-10,17H2,1H3
InChIKeyMHVXAXISUASOIK-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-[(4-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208559
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
CID 62687145
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 103209647

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide (CID 103205538) is N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide is CCN(Cc1ccc(N)cc1)C(=O)CCOCC(F)F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide?
The InChIKey is MHVXAXISUASOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-18(9-11-3-5-12(17)6-4-11)14(19)7-8-20-10-13(15)16/h3-6,13H,2,7-10,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide?
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide is sourced from PubChem (CID 103205538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).