N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline

C14H13Cl2FN2 — CID 58022096

IUPACN-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline
SMILESCN(Cc1ccc(F)c(N)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-19(14-10(15)3-2-4-11(14)16)8-9-5-6-12(17)13(18)7-9/h2-7H,8,18H2,1H3
InChIKeyCJBSKCAXFVHOLE-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.35
Rot. Bonds3

About N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline

N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline (PubChem CID 58022096) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline.

Molecular Properties

Compound NameN-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline
PubChem CID58022096
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC NameN-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline
SMILESCN(Cc1ccc(F)c(N)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-19(14-10(15)3-2-4-11(14)16)8-9-5-6-12(17)13(18)7-9/h2-7H,8,18H2,1H3
InChIKeyCJBSKCAXFVHOLE-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline?
The IUPAC name of N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline (CID 58022096) is N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline.
What is the SMILES notation for N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline?
The canonical SMILES for N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline is CN(Cc1ccc(F)c(N)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline?
The InChIKey is CJBSKCAXFVHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-19(14-10(15)3-2-4-11(14)16)8-9-5-6-12(17)13(18)7-9/h2-7H,8,18H2,1H3.
What are the key properties of N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline?
N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline has a molecular weight of 299.18 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-fluorophenyl)methyl]-2,6-dichloro-N-methylaniline is sourced from PubChem (CID 58022096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).