1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine

C13H17ClFNO — CID 114856901

IUPAC1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1F)CC1CCOC1
InChIInChI=1S/C13H17ClFNO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2
InChIKeyKFDTWZLXGISJQG-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine

1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 114856901) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID114856901
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1F)CC1CCOC1
InChIInChI=1S/C13H17ClFNO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2
InChIKeyKFDTWZLXGISJQG-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 103986773
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-amine
CID 106868732
3-[(4-chloro-2-fluorophenyl)methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 100637311
3-[(4-chloro-2-fluorophenyl)methyl]oxan-4-amine
CID 106468971
[1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 102623436
[1-(5-chloro-2-methoxyphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266240
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine (CID 114856901) is 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine is NC(Cc1ccc(Cl)cc1F)CC1CCOC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is KFDTWZLXGISJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-2,7,9,12H,3-6,8,16H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 257.74 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 114856901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).