N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline

C18H29FN2 — CID 43313789

IUPACN-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29FN2/c1-3-12-20-14-15-13-16(19)10-11-18(15)21(4-2)17-8-6-5-7-9-17/h10-11,13,17,20H,3-9,12,14H2,1-2H3
InChIKeyQGQRXLVSGYOKAF-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.48
Rot. Bonds7

About N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline

N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline (PubChem CID 43313789) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
PubChem CID43313789
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)ccc1N(CC)C1CCCCC1
InChIInChI=1S/C18H29FN2/c1-3-12-20-14-15-13-16(19)10-11-18(15)21(4-2)17-8-6-5-7-9-17/h10-11,13,17,20H,3-9,12,14H2,1-2H3
InChIKeyQGQRXLVSGYOKAF-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline 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-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-cyclopentyl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072971
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
CID 43280959
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline?
The IUPAC name of N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline (CID 43313789) is N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline is CCCNCc1cc(F)ccc1N(CC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline?
The InChIKey is QGQRXLVSGYOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-12-20-14-15-13-16(19)10-11-18(15)21(4-2)17-8-6-5-7-9-17/h10-11,13,17,20H,3-9,12,14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline?
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline has a molecular weight of 292.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43313789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).