2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline

C15H23FN2 — CID 43313792

IUPAC2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1CN)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7,11,17H2,1H3
InChIKeyFMAWKPRWLXYWTP-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.44
Rot. Bonds4

About 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline

2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline (PubChem CID 43313792) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
PubChem CID43313792
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1CN)C1CCCCC1
InChIInChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7,11,17H2,1H3
InChIKeyFMAWKPRWLXYWTP-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
2-[2-(aminomethyl)-N-cyclopentyl-4-fluoroanilino]acetamide
CID 54989142
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
(E)-3-[2-[cyclohexyl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 43313075
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline (CID 43313792) is 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline is CCN(c1ccc(F)cc1CN)C1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline?
The InChIKey is FMAWKPRWLXYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(14-6-4-3-5-7-14)15-9-8-13(16)10-12(15)11-17/h8-10,14H,2-7,11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline?
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 43313792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).