1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine

C11H15ClFNO — CID 82805474

IUPAC1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-14-9(7-15-2)6-8-4-3-5-10(12)11(8)13/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUHJPVZNSRSSRIS-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.26
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 82805474) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID82805474
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-14-9(7-15-2)6-8-4-3-5-10(12)11(8)13/h3-5,9,14H,6-7H2,1-2H3
InChIKeyUHJPVZNSRSSRIS-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148263
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine (CID 82805474) is 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is UHJPVZNSRSSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-14-9(7-15-2)6-8-4-3-5-10(12)11(8)13/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 82805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).