1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine

C10H13ClFNO — CID 54673466

IUPAC1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine
SMILESCONC(CF)Cc1cccc(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-14-13-10(7-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6-7H2,1H3
InChIKeyJHDHTWCYIJBBHA-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.37
Rot. Bonds5

About 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine

1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine (PubChem CID 54673466) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine
PubChem CID54673466
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine
SMILESCONC(CF)Cc1cccc(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-14-13-10(7-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6-7H2,1H3
InChIKeyJHDHTWCYIJBBHA-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.37
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

1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
CID 62600121
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 103053528
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine (CID 54673466) is 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine is CONC(CF)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
The InChIKey is JHDHTWCYIJBBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-14-13-10(7-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine?
1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine has a molecular weight of 217.67 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-fluoro-N-methoxypropan-2-amine is sourced from PubChem (CID 54673466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).