N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline

C16H23FN2 — CID 106532212

IUPACN-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
SMILESCCCN(c1cc(F)cc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C16H23FN2/c1-2-7-19(15-5-6-15)16-9-12(8-13(17)10-16)11-18-14-3-4-14/h8-10,14-15,18H,2-7,11H2,1H3
InChIKeyJYEFBJGXJMFHIB-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.46
Rot. Bonds7

About N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline

N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline (PubChem CID 106532212) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline.

Molecular Properties

Compound NameN-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
PubChem CID106532212
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
SMILESCCCN(c1cc(F)cc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C16H23FN2/c1-2-7-19(15-5-6-15)16-9-12(8-13(17)10-16)11-18-14-3-4-14/h8-10,14-15,18H,2-7,11H2,1H3
InChIKeyJYEFBJGXJMFHIB-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
CID 106532492
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-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline?
The IUPAC name of N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline (CID 106532212) is N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline.
What is the SMILES notation for N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline?
The canonical SMILES for N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline is CCCN(c1cc(F)cc(CNC2CC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline?
The InChIKey is JYEFBJGXJMFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-7-19(15-5-6-15)16-9-12(8-13(17)10-16)11-18-14-3-4-14/h8-10,14-15,18H,2-7,11H2,1H3.
What are the key properties of N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline?
N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline has a molecular weight of 262.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline is sourced from PubChem (CID 106532212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).