3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline

C16H15ClFN — CID 107364179

IUPAC3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ccccc2C2CC2)c1
InChIInChI=1S/C16H15ClFN/c17-13-7-14(18)9-15(8-13)19-10-12-3-1-2-4-16(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyDXXUZLGITSIDNN-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.97
Rot. Bonds4

About 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline

3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline (PubChem CID 107364179) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
PubChem CID107364179
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ccccc2C2CC2)c1
InChIInChI=1S/C16H15ClFN/c17-13-7-14(18)9-15(8-13)19-10-12-3-1-2-4-16(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyDXXUZLGITSIDNN-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline (CID 107364179) is 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline is Fc1cc(Cl)cc(NCc2ccccc2C2CC2)c1.
What is the InChIKey of 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline?
The InChIKey is DXXUZLGITSIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-7-14(18)9-15(8-13)19-10-12-3-1-2-4-16(12)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2.
What are the key properties of 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline?
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline has a molecular weight of 275.75 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107364179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).