1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine

C13H17ClFN — CID 82806050

IUPAC1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
SMILESNC(Cc1cccc(Cl)c1F)CC1CCC1
InChIInChI=1S/C13H17ClFN/c14-12-6-2-5-10(13(12)15)8-11(16)7-9-3-1-4-9/h2,5-6,9,11H,1,3-4,7-8,16H2
InChIKeyCTPXRTDZKIGFMF-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.54
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine (PubChem CID 82806050) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
PubChem CID82806050
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
SMILESNC(Cc1cccc(Cl)c1F)CC1CCC1
InChIInChI=1S/C13H17ClFN/c14-12-6-2-5-10(13(12)15)8-11(16)7-9-3-1-4-9/h2,5-6,9,11H,1,3-4,7-8,16H2
InChIKeyCTPXRTDZKIGFMF-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine (CID 82806050) is 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine is NC(Cc1cccc(Cl)c1F)CC1CCC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine?
The InChIKey is CTPXRTDZKIGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c14-12-6-2-5-10(13(12)15)8-11(16)7-9-3-1-4-9/h2,5-6,9,11H,1,3-4,7-8,16H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine has a molecular weight of 241.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine is sourced from PubChem (CID 82806050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).