4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline

C17H27FN2O — CID 62260426

IUPAC4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
SMILESCC(C)CNCC1(CN(C)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C17H27FN2O/c1-14(2)10-19-11-17(8-9-21-13-17)12-20(3)16-6-4-15(18)5-7-16/h4-7,14,19H,8-13H2,1-3H3
InChIKeyRSHGSALCHUXJDK-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.91
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline

4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline (PubChem CID 62260426) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
PubChem CID62260426
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
SMILESCC(C)CNCC1(CN(C)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C17H27FN2O/c1-14(2)10-19-11-17(8-9-21-13-17)12-20(3)16-6-4-15(18)5-7-16/h4-7,14,19H,8-13H2,1-3H3
InChIKeyRSHGSALCHUXJDK-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62259743
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
CID 62261909
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-[[3-[(2-chloro-5-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 102619921
3-[(4-fluoro-N-methylanilino)methyl]oxolane-3-carbaldehyde
CID 55050591
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
CID 62258684
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255910
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline (CID 62260426) is 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline is CC(C)CNCC1(CN(C)c2ccc(F)cc2)CCOC1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
The InChIKey is RSHGSALCHUXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-14(2)10-19-11-17(8-9-21-13-17)12-20(3)16-6-4-15(18)5-7-16/h4-7,14,19H,8-13H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline has a molecular weight of 294.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline is sourced from PubChem (CID 62260426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).