4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline

C15H23FN2 — CID 64768453

IUPAC4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1ccc(N)cc1F)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3
InChIKeySXWXLDFGWBRNIE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.56
Rot. Bonds4

About 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline

4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline (PubChem CID 64768453) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
PubChem CID64768453
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1ccc(N)cc1F)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3
InChIKeySXWXLDFGWBRNIE-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
4-[[cyclopropyl(ethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 43264198
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
2-[[cyclohexyl(ethyl)amino]methyl]pyridin-4-amine
CID 79245632

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline?
The IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline (CID 64768453) is 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline.
What is the SMILES notation for 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline?
The canonical SMILES for 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline is CCN(Cc1ccc(N)cc1F)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline?
The InChIKey is SXWXLDFGWBRNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)11-12-8-9-13(17)10-15(12)16/h8-10,14H,2-7,11,17H2,1H3.
What are the key properties of 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline?
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline is sourced from PubChem (CID 64768453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).