4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

C12H17FN2O — CID 61431331

IUPAC4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCO1)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-15(8-10-3-2-6-16-10)12-5-4-9(13)7-11(12)14/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyMZKPQTVJLPGPAS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.02
Rot. Bonds3

About 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine

4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (PubChem CID 61431331) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
PubChem CID61431331
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
SMILESCN(CC1CCCO1)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-15(8-10-3-2-6-16-10)12-5-4-9(13)7-11(12)14/h4-5,7,10H,2-3,6,8,14H2,1H3
InChIKeyMZKPQTVJLPGPAS-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 63592517
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-ethoxy-5-fluoro-2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 63592689

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine (CID 61431331) is 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is CN(CC1CCCO1)c1ccc(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is MZKPQTVJLPGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15(8-10-3-2-6-16-10)12-5-4-9(13)7-11(12)14/h4-5,7,10H,2-3,6,8,14H2,1H3.
What are the key properties of 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine?
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 224.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 61431331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).