1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine

C17H25ClFNO — CID 103049082

IUPAC1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)CC1CCCCO1
InChIInChI=1S/C17H25ClFNO/c1-2-8-20-15(12-16-5-3-4-9-21-16)11-13-10-14(18)6-7-17(13)19/h6-7,10,15-16,20H,2-5,8-9,11-12H2,1H3
InChIKeyGYHLLRGCIAMWTN-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine (PubChem CID 103049082) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
PubChem CID103049082
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)CC1CCCCO1
InChIInChI=1S/C17H25ClFNO/c1-2-8-20-15(12-16-5-3-4-9-21-16)11-13-10-14(18)6-7-17(13)19/h6-7,10,15-16,20H,2-5,8-9,11-12H2,1H3
InChIKeyGYHLLRGCIAMWTN-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105105020
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine (CID 103049082) is 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1cc(Cl)ccc1F)CC1CCCCO1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine?
The InChIKey is GYHLLRGCIAMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-2-8-20-15(12-16-5-3-4-9-21-16)11-13-10-14(18)6-7-17(13)19/h6-7,10,15-16,20H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine has a molecular weight of 313.84 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103049082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).