N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide

C14H18FNO2 — CID 142360430

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
SMILESCC(c1ccc(F)c(OCC2CC2)c1)N(C)C=O
InChIInChI=1S/C14H18FNO2/c1-10(16(2)9-17)12-5-6-13(15)14(7-12)18-8-11-3-4-11/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyNUBXYKJWLGYPBD-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide (PubChem CID 142360430) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
PubChem CID142360430
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
SMILESCC(c1ccc(F)c(OCC2CC2)c1)N(C)C=O
InChIInChI=1S/C14H18FNO2/c1-10(16(2)9-17)12-5-6-13(15)14(7-12)18-8-11-3-4-11/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyNUBXYKJWLGYPBD-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide
CID 64991275
ethyl 2-[[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-methylsulfamoyl]amino]acetate
CID 134553660
4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2,5-dimethylhexane-2-sulfinamide
CID 167358601
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
CID 135207313
[4-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]phenyl]methanamine
CID 158673497
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide (CID 142360430) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide is CC(c1ccc(F)c(OCC2CC2)c1)N(C)C=O.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide?
The InChIKey is NUBXYKJWLGYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(16(2)9-17)12-5-6-13(15)14(7-12)18-8-11-3-4-11/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide has a molecular weight of 251.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide is sourced from PubChem (CID 142360430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).