5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline

C14H13ClFN — CID 157020701

IUPAC5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1Cc1cccc(F)c1
InChIInChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)5-10-3-2-4-13(16)6-10/h2-4,6-8H,5,17H2,1H3
InChIKeyOYVCYASPPFLALT-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.96
Rot. Bonds2

About 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline

5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline (PubChem CID 157020701) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
PubChem CID157020701
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1Cc1cccc(F)c1
InChIInChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)5-10-3-2-4-13(16)6-10/h2-4,6-8H,5,17H2,1H3
InChIKeyOYVCYASPPFLALT-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
3-[(3-chlorophenyl)methyl]-5-methoxy-2-methylaniline
CID 154647621
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
3-bromo-5-[(3-fluorophenyl)methyl]-4-methylbenzaldehyde
CID 87195663
2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
CID 133188343
3-[(2,5-difluorophenyl)methyl]aniline
CID 116925761
5-chloro-3-fluoro-2-methylaniline
CID 18727792
2-chloro-4-N-[(3-fluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 113334152
6-bromo-3-chloro-2-[(3-fluorophenyl)methyl]aniline
CID 170702770
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline (CID 157020701) is 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline is Cc1c(N)cc(Cl)cc1Cc1cccc(F)c1.
What is the InChIKey of 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is OYVCYASPPFLALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)5-10-3-2-4-13(16)6-10/h2-4,6-8H,5,17H2,1H3.
What are the key properties of 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline?
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline has a molecular weight of 249.72 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 157020701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).