1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine

C14H20FNO — CID 114833690

IUPAC1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C14H20FNO/c1-14(16,10-12-6-4-8-17-12)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,16H2,1H3
InChIKeyLVCUETFIPXCHAV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.65
Rot. Bonds4

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

1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 114833690) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID114833690
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C14H20FNO/c1-14(16,10-12-6-4-8-17-12)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,16H2,1H3
InChIKeyLVCUETFIPXCHAV-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]oxane
CID 20724373
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137002
2-fluoro-6-(oxan-2-ylmethyl)aniline
CID 105463137
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine (CID 114833690) is 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine is CC(N)(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is LVCUETFIPXCHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(16,10-12-6-4-8-17-12)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine?
1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 114833690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).