1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine

C11H15ClFNO — CID 102857532

IUPAC1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-15-6-5-9(14)7-8-3-2-4-10(12)11(8)13/h2-4,9H,5-7,14H2,1H3
InChIKeyHJKNYRDCTNKHFF-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.39
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine

1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine (PubChem CID 102857532) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
PubChem CID102857532
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-15-6-5-9(14)7-8-3-2-4-10(12)11(8)13/h2-4,9H,5-7,14H2,1H3
InChIKeyHJKNYRDCTNKHFF-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
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1-(3-chloro-2-fluorophenyl)dodecan-2-amine
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1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
CID 82805447
1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 82806041
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine (CID 102857532) is 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine is COCCC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine?
The InChIKey is HJKNYRDCTNKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-15-6-5-9(14)7-8-3-2-4-10(12)11(8)13/h2-4,9H,5-7,14H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine?
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine has a molecular weight of 231.70 g/mol, XLogP of 2.39, 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)-4-methoxybutan-2-amine is sourced from PubChem (CID 102857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).