N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide

C14H21FN2O2 — CID 63934653

IUPACN-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOCc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-17(9-4-8-16)14(18)7-10-19-11-12-5-2-3-6-13(12)15/h2-3,5-6H,4,7-11,16H2,1H3
InChIKeyVMAZITZKGSTZSX-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.54
Rot. Bonds8

About N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide

N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide (PubChem CID 63934653) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
PubChem CID63934653
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOCc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-17(9-4-8-16)14(18)7-10-19-11-12-5-2-3-6-13(12)15/h2-3,5-6H,4,7-11,16H2,1H3
InChIKeyVMAZITZKGSTZSX-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-fluorophenyl)methoxy]propanoate
CID 63931594
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
CID 142014071
N-(3-aminopropyl)-N-methyl-3-(4,4,4-trifluorobutoxy)propanamide
CID 82788019
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 114242784

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide (CID 63934653) is N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide is CN(CCCN)C(=O)CCOCc1ccccc1F.
What is the InChIKey of N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide?
The InChIKey is VMAZITZKGSTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17(9-4-8-16)14(18)7-10-19-11-12-5-2-3-6-13(12)15/h2-3,5-6H,4,7-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide?
N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide is sourced from PubChem (CID 63934653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).