N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline

C16H17FN2 — CID 68803252

IUPACN-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline
SMILESFc1ccc(NCc2cccc(NC3CC3)c2)cc1
InChIInChI=1S/C16H17FN2/c17-13-4-6-14(7-5-13)18-11-12-2-1-3-16(10-12)19-15-8-9-15/h1-7,10,15,18-19H,8-9,11H2
InChIKeyMHWIBUIQANPABX-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.01
Rot. Bonds5

About N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline

N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline (PubChem CID 68803252) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline
PubChem CID68803252
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline
SMILESFc1ccc(NCc2cccc(NC3CC3)c2)cc1
InChIInChI=1S/C16H17FN2/c17-13-4-6-14(7-5-13)18-11-12-2-1-3-16(10-12)19-15-8-9-15/h1-7,10,15,18-19H,8-9,11H2
InChIKeyMHWIBUIQANPABX-UHFFFAOYSA-N
XLogP4.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline?
The IUPAC name of N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline (CID 68803252) is N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline.
What is the SMILES notation for N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline?
The canonical SMILES for N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline is Fc1ccc(NCc2cccc(NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline?
The InChIKey is MHWIBUIQANPABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-4-6-14(7-5-13)18-11-12-2-1-3-16(10-12)19-15-8-9-15/h1-7,10,15,18-19H,8-9,11H2.
What are the key properties of N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline?
N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline has a molecular weight of 256.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-fluoroanilino)methyl]aniline is sourced from PubChem (CID 68803252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).