N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide

C14H18FNO2 — CID 167945015

IUPACN-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide
SMILESCOc1ccc(F)cc1C(C)N(C=O)CC1CC1
InChIInChI=1S/C14H18FNO2/c1-10(16(9-17)8-11-3-4-11)13-7-12(15)5-6-14(13)18-2/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyYZODHVRXWHBHFX-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.76
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide

N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide (PubChem CID 167945015) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide
PubChem CID167945015
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide
SMILESCOc1ccc(F)cc1C(C)N(C=O)CC1CC1
InChIInChI=1S/C14H18FNO2/c1-10(16(9-17)8-11-3-4-11)13-7-12(15)5-6-14(13)18-2/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyYZODHVRXWHBHFX-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-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
CID 130433786
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105176539
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 43492217

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide (CID 167945015) is N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide is COc1ccc(F)cc1C(C)N(C=O)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide?
The InChIKey is YZODHVRXWHBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(16(9-17)8-11-3-4-11)13-7-12(15)5-6-14(13)18-2/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide?
N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide 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-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide is sourced from PubChem (CID 167945015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).