1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine

C10H11Cl3FNO — CID 54673468

IUPAC1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine
SMILESCONC(CF)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3,7,15H,4-5H2,1H3
InChIKeyIAMMLPQKKPQTCP-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.68
Rot. Bonds5

About 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine

1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine (PubChem CID 54673468) has the molecular formula C10H11Cl3FNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine
PubChem CID54673468
Molecular FormulaC10H11Cl3FNO
Molecular Weight286.56 g/mol
Exact Mass284.99
IUPAC Name1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine
SMILESCONC(CF)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3,7,15H,4-5H2,1H3
InChIKeyIAMMLPQKKPQTCP-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

p-Chloroamphetamine hydrochloride
CID 107161
2,4-Dichlorophenethylamine
CID 142938
1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858
1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
CID 3833141
2-Chloroamphetamine hydrochloride
CID 20027460
Benzeneethanamine, 4-chloro-alpha-methyl-, hydrochloride (1:1), (alphaS)-
CID 85261
p-Chloroamphetamine hydrochloride, (R)-
CID 85262
1-(2,4-Dichlorophenyl)propan-2-amine--hydrogen chloride (1/1)
CID 3041174
1-(2,6-Dichlorophenyl)ethan-1-amine
CID 10910315
(1R)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-amine
CID 25324458
2,6-Dichloro-alpha-methylbenzeneethanamine
CID 18070286
Hydroxylamine, N-(p-chloro-alpha-methylphenethyl)-, hydrochloride, (+-)
CID 3042987

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine?
The IUPAC name of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine (CID 54673468) is 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine?
The canonical SMILES for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine is CONC(CF)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine?
The InChIKey is IAMMLPQKKPQTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3FNO/c1-16-15-7(5-14)4-8-9(12)2-6(11)3-10(8)13/h2-3,7,15H,4-5H2,1H3.
What are the key properties of 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine?
1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine has a molecular weight of 286.56 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methoxy-3-(2,4,6-trichlorophenyl)propan-2-amine is sourced from PubChem (CID 54673468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).