1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine

C14H20FNO — CID 116521177

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
SMILESCC1(C)CCC(CNCc2cccc(F)c2)O1
InChIInChI=1S/C14H20FNO/c1-14(2)7-6-13(17-14)10-16-9-11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7,9-10H2,1-2H3
InChIKeySABNDWHLQSGLGV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.87
Rot. Bonds4

About 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine

1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine (PubChem CID 116521177) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
PubChem CID116521177
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
SMILESCC1(C)CCC(CNCc2cccc(F)c2)O1
InChIInChI=1S/C14H20FNO/c1-14(2)7-6-13(17-14)10-16-9-11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7,9-10H2,1-2H3
InChIKeySABNDWHLQSGLGV-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
CID 107230384
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
CID 116521506
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126788095
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
N-[(4-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896687

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine (CID 116521177) is 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine is CC1(C)CCC(CNCc2cccc(F)c2)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine?
The InChIKey is SABNDWHLQSGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2)7-6-13(17-14)10-16-9-11-4-3-5-12(15)8-11/h3-5,8,13,16H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 116521177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).