N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline

C16H25FN2 — CID 106532103

IUPACN-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
SMILESCCCCN(CC)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H25FN2/c1-3-5-8-19(4-2)16-10-13(9-14(17)11-16)12-18-15-6-7-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyILXJUPHNOGCAHS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds8

About N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline

N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline (PubChem CID 106532103) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline.

Molecular Properties

Compound NameN-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
PubChem CID106532103
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
SMILESCCCCN(CC)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H25FN2/c1-3-5-8-19(4-2)16-10-13(9-14(17)11-16)12-18-15-6-7-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyILXJUPHNOGCAHS-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
CID 106532212
3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
CID 106532492
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 106532266
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 106532922
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
CID 84754296

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline?
The IUPAC name of N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline (CID 106532103) is N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline.
What is the SMILES notation for N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline?
The canonical SMILES for N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline is CCCCN(CC)c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline?
The InChIKey is ILXJUPHNOGCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-5-8-19(4-2)16-10-13(9-14(17)11-16)12-18-15-6-7-15/h9-11,15,18H,3-8,12H2,1-2H3.
What are the key properties of N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline?
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline is sourced from PubChem (CID 106532103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).