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

C14H13ClFN — CID 154647758

IUPAC5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1Cc1ccccc1F
InChIInChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)6-10-4-2-3-5-13(10)16/h2-5,7-8H,6,17H2,1H3
InChIKeyHNTWVBOBKGMNDZ-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.96
Rot. Bonds2

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

5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline (PubChem CID 154647758) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
PubChem CID154647758
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCc1c(N)cc(Cl)cc1Cc1ccccc1F
InChIInChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)6-10-4-2-3-5-13(10)16/h2-5,7-8H,6,17H2,1H3
InChIKeyHNTWVBOBKGMNDZ-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-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
5-chloro-3-fluoro-2-methylaniline
CID 18727792
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
CID 154647746
2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554439
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline (CID 154647758) is 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline is Cc1c(N)cc(Cl)cc1Cc1ccccc1F.
What is the InChIKey of 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is HNTWVBOBKGMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-11(7-12(15)8-14(9)17)6-10-4-2-3-5-13(10)16/h2-5,7-8H,6,17H2,1H3.
What are the key properties of 5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline?
5-chloro-3-[(2-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-[(2-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 154647758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).