2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline

C18H21FN2 — CID 43313811

IUPAC2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C18H21FN2/c1-2-21(17-6-4-3-5-7-17)18-11-8-15(19)12-14(18)13-20-16-9-10-16/h3-8,11-12,16,20H,2,9-10,13H2,1H3
InChIKeySYBTXYDQZCOUNF-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.24
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline

2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline (PubChem CID 43313811) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
PubChem CID43313811
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C18H21FN2/c1-2-21(17-6-4-3-5-7-17)18-11-8-15(19)12-14(18)13-20-16-9-10-16/h3-8,11-12,16,20H,2,9-10,13H2,1H3
InChIKeySYBTXYDQZCOUNF-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline (CID 43313811) is 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline is CCN(c1ccccc1)c1ccc(F)cc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline?
The InChIKey is SYBTXYDQZCOUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-21(17-6-4-3-5-7-17)18-11-8-15(19)12-14(18)13-20-16-9-10-16/h3-8,11-12,16,20H,2,9-10,13H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline?
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline is sourced from PubChem (CID 43313811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).