N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine

C14H20FNO — CID 114264050

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine
SMILESC=CCOC(C)CNCc1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO/c1-4-7-17-12(3)9-16-10-13-5-6-14(15)11(2)8-13/h4-6,8,12,16H,1,7,9-10H2,2-3H3
InChIKeyVJJRTIQJATXIFK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.81
Rot. Bonds7

About N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine

N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine (PubChem CID 114264050) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine
PubChem CID114264050
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine
SMILESC=CCOC(C)CNCc1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO/c1-4-7-17-12(3)9-16-10-13-5-6-14(15)11(2)8-13/h4-6,8,12,16H,1,7,9-10H2,2-3H3
InChIKeyVJJRTIQJATXIFK-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264054
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
2-bromo-4-[(2-prop-2-enoxypropylamino)methyl]phenol
CID 114264659
2-prop-2-enoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 114264043
N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264048
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647661
N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
CID 115668244
methyl 2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoate
CID 115253118
2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoic acid
CID 115249888
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine (CID 114264050) is N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine is C=CCOC(C)CNCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine?
The InChIKey is VJJRTIQJATXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-7-17-12(3)9-16-10-13-5-6-14(15)11(2)8-13/h4-6,8,12,16H,1,7,9-10H2,2-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 114264050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).