N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide

C14H19FN2O2 — CID 115272625

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C14H19FN2O2/c1-17(9-14(8-16)5-6-14)13(18)11-7-10(15)3-4-12(11)19-2/h3-4,7H,5-6,8-9,16H2,1-2H3
InChIKeyIYTUJSQROZBQAP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.65
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide (PubChem CID 115272625) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
PubChem CID115272625
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C14H19FN2O2/c1-17(9-14(8-16)5-6-14)13(18)11-7-10(15)3-4-12(11)19-2/h3-4,7H,5-6,8-9,16H2,1-2H3
InChIKeyIYTUJSQROZBQAP-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
CID 115267700
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-fluoro-2-methoxy-N-methylaniline
CID 115249298
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide (CID 115272625) is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide is COc1ccc(F)cc1C(=O)N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide?
The InChIKey is IYTUJSQROZBQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-14(8-16)5-6-14)13(18)11-7-10(15)3-4-12(11)19-2/h3-4,7H,5-6,8-9,16H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 115272625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).