2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline

C18H29FN2O — CID 84753353

IUPAC2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNCC2CCCO2)ccc1F
InChIInChI=1S/C18H29FN2O/c1-3-9-21(10-4-2)18-12-15(7-8-17(18)19)13-20-14-16-6-5-11-22-16/h7-8,12,16,20H,3-6,9-11,13-14H2,1-2H3
InChIKeyLCYBMDQVQUTGQJ-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.72
Rot. Bonds9

About 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline

2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline (PubChem CID 84753353) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
PubChem CID84753353
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(CNCC2CCCO2)ccc1F
InChIInChI=1S/C18H29FN2O/c1-3-9-21(10-4-2)18-12-15(7-8-17(18)19)13-20-14-16-6-5-11-22-16/h7-8,12,16,20H,3-6,9-11,13-14H2,1-2H3
InChIKeyLCYBMDQVQUTGQJ-UHFFFAOYSA-N
XLogP3.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
CID 84750567
N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 84753324
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline?
The IUPAC name of 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline (CID 84753353) is 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline.
What is the SMILES notation for 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline?
The canonical SMILES for 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline is CCCN(CCC)c1cc(CNCC2CCCO2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline?
The InChIKey is LCYBMDQVQUTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-3-9-21(10-4-2)18-12-15(7-8-17(18)19)13-20-14-16-6-5-11-22-16/h7-8,12,16,20H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline?
2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline has a molecular weight of 308.44 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline is sourced from PubChem (CID 84753353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).