2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide

C15H22FN3O — CID 115308919

IUPAC2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide
SMILESCC1CCCCC1(CN)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H22FN3O/c1-10-4-2-3-7-15(10,9-17)19-13-6-5-11(16)8-12(13)14(18)20/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H2,18,20)
InChIKeyRYMPPDKGBGPWFU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.24
Rot. Bonds4

About 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide

2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide (PubChem CID 115308919) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide
PubChem CID115308919
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide
SMILESCC1CCCCC1(CN)Nc1ccc(F)cc1C(N)=O
InChIInChI=1S/C15H22FN3O/c1-10-4-2-3-7-15(10,9-17)19-13-6-5-11(16)8-12(13)14(18)20/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H2,18,20)
InChIKeyRYMPPDKGBGPWFU-UHFFFAOYSA-N
XLogP2.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295344
2-(2-carbamoyl-4-fluoroanilino)-1-methylcyclohexane-1-carboxylic acid
CID 83209576
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594244
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 115308803
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromo-2-(trifluoromethyl)aniline
CID 107286973
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
CID 115308786
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide?
The IUPAC name of 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide (CID 115308919) is 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide?
The canonical SMILES for 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide is CC1CCCCC1(CN)Nc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide?
The InChIKey is RYMPPDKGBGPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-4-2-3-7-15(10,9-17)19-13-6-5-11(16)8-12(13)14(18)20/h5-6,8,10,19H,2-4,7,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide?
2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide is sourced from PubChem (CID 115308919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).