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

C16H15ClFN — CID 79979636

IUPAC5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C16H15ClFN/c17-14-6-7-15(18)16(9-14)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyYKGAIPQQDNZCPW-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.97
Rot. Bonds4

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

5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline (PubChem CID 79979636) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
PubChem CID79979636
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C16H15ClFN/c17-14-6-7-15(18)16(9-14)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyYKGAIPQQDNZCPW-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

5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
3-bromo-5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968458
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline (CID 79979636) is 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline is Fc1ccc(Cl)cc1NCc1cccc(C2CC2)c1.
What is the InChIKey of 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline?
The InChIKey is YKGAIPQQDNZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-6-7-15(18)16(9-14)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 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline?
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-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 5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 79979636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).