1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

C15H22FNO — CID 65164492

IUPAC1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-17-14(7-8-15-6-3-9-18-15)11-12-4-2-5-13(16)10-12/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3
InChIKeyDEUGHVMZJWTZSI-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.92
Rot. Bonds6

About 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164492) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164492
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-17-14(7-8-15-6-3-9-18-15)11-12-4-2-5-13(16)10-12/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3
InChIKeyDEUGHVMZJWTZSI-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
1-[(3-fluorophenyl)methyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111875637
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (CID 65164492) is 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is DEUGHVMZJWTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17-14(7-8-15-6-3-9-18-15)11-12-4-2-5-13(16)10-12/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).