N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide

C15H23FN2O — CID 106250501

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H23FN2O/c1-4-15(5-2,9-17)10-18-14(19)12-6-7-13(16)11(3)8-12/h6-8H,4-5,9-10,17H2,1-3H3,(H,18,19)
InChIKeyVWYMWFNLXRQQAX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide

N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide (PubChem CID 106250501) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
PubChem CID106250501
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H23FN2O/c1-4-15(5-2,9-17)10-18-14(19)12-6-7-13(16)11(3)8-12/h6-8H,4-5,9-10,17H2,1-3H3,(H,18,19)
InChIKeyVWYMWFNLXRQQAX-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide (CID 106250501) is N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide is CCC(CC)(CN)CNC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide?
The InChIKey is VWYMWFNLXRQQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-15(5-2,9-17)10-18-14(19)12-6-7-13(16)11(3)8-12/h6-8H,4-5,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide?
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 106250501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).