4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide

C16H24FN3 — CID 61448650

IUPAC4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CCC(CC)CC2)c(F)c1
InChIInChI=1S/C16H24FN3/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(16(18)19)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3,(H3,18,19)
InChIKeyWRJOSFHOWNFHII-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds4

About 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide

4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide (PubChem CID 61448650) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
PubChem CID61448650
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CCC(CC)CC2)c(F)c1
InChIInChI=1S/C16H24FN3/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(16(18)19)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3,(H3,18,19)
InChIKeyWRJOSFHOWNFHII-UHFFFAOYSA-N
XLogP3.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide 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

4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
4-(bromomethyl)-N-(4-ethylcyclohexyl)-2-fluoro-N-methylaniline
CID 107081550
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
2-[(4-ethylcyclohexyl)-methylamino]-5-fluorobenzenecarbothioamide
CID 63673867
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
CID 55011485
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76997661
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide (CID 61448650) is 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C2CCC(CC)CC2)c(F)c1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide?
The InChIKey is WRJOSFHOWNFHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-3-11-4-7-13(8-5-11)20(2)15-9-6-12(16(18)19)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3,(H3,18,19).
What are the key properties of 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide?
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide has a molecular weight of 277.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).