4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline

C16H15ClFN — CID 79979141

IUPAC4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(C3CC3)c2)ccc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-7-6-14(9-16(15)18)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyDGDOJHGSQYJQEN-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.97
Rot. Bonds4

About 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline

4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline (PubChem CID 79979141) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
PubChem CID79979141
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(C3CC3)c2)ccc1Cl
InChIInChI=1S/C16H15ClFN/c17-15-7-6-14(9-16(15)18)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyDGDOJHGSQYJQEN-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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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
N-[(3-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979176
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79969495
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline (CID 79979141) is 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline is Fc1cc(NCc2cccc(C3CC3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline?
The InChIKey is DGDOJHGSQYJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-7-6-14(9-16(15)18)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2.
What are the key properties of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline?
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-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 4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 79979141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).