N-[(4-chlorophenyl)methyl]-4-fluoroaniline

C13H11ClFN — CID 12937050

IUPACN-[(4-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyPYPLTHRBFCMNSK-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.09
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-fluoroaniline

N-[(4-chlorophenyl)methyl]-4-fluoroaniline (PubChem CID 12937050) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-fluoroaniline
PubChem CID12937050
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H11ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeyPYPLTHRBFCMNSK-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzylaniline
CID 66028
N-(5-Chloro-2-methylphenyl)piperazine
CID 693767
N-benzyl-4-chloroaniline
CID 76281
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
Benzeneethanamine, N-phenyl-
CID 74443
(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
N-benzyl-4-fluoroaniline
CID 913402
N-(3-Chloro-P-tolyl)-4-methylbenzylamine
CID 292905
N-(4-Chlorophenyl)-4-methylbenzylamine
CID 292568
1-(4-Chlorobenzyl)-3-(2-fluorophenyl)thiourea
CID 883448

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoroaniline (CID 12937050) is N-[(4-chlorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-fluoroaniline?
The InChIKey is PYPLTHRBFCMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-fluoroaniline?
N-[(4-chlorophenyl)methyl]-4-fluoroaniline has a molecular weight of 235.69 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 12937050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).