N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide

C15H22F2N2O2 — CID 103205555

IUPACN-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)CCOCC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-11(2)19(9-12-5-3-4-6-13(12)18)15(20)7-8-21-10-14(16)17/h3-6,11,14H,7-10,18H2,1-2H3
InChIKeyFGYHGKHIYYECKA-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.68
Rot. Bonds8

About N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide

N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide (PubChem CID 103205555) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
PubChem CID103205555
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC NameN-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)CCOCC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-11(2)19(9-12-5-3-4-6-13(12)18)15(20)7-8-21-10-14(16)17/h3-6,11,14H,7-10,18H2,1-2H3
InChIKeyFGYHGKHIYYECKA-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 114126710
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81324279
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103205538
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide (CID 103205555) is N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide is CC(C)N(Cc1ccccc1N)C(=O)CCOCC(F)F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
The InChIKey is FGYHGKHIYYECKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-11(2)19(9-12-5-3-4-6-13(12)18)15(20)7-8-21-10-14(16)17/h3-6,11,14H,7-10,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide?
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide has a molecular weight of 300.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 103205555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).