N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine

C13H20FNO — CID 112609046

IUPACN-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCCCF
InChIInChI=1S/C13H20FNO/c1-3-15-10-12-7-4-6-11(2)13(12)16-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyGOQLGQWUNOMPMW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.84
Rot. Bonds7

About N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine

N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine (PubChem CID 112609046) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
PubChem CID112609046
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCCCF
InChIInChI=1S/C13H20FNO/c1-3-15-10-12-7-4-6-11(2)13(12)16-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyGOQLGQWUNOMPMW-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-butoxy-3-[2-(ethylaminomethyl)-6-methylphenoxy]propan-2-ol
CID 107262387
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527280

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine (CID 112609046) is N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCCCF.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine?
The InChIKey is GOQLGQWUNOMPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-15-10-12-7-4-6-11(2)13(12)16-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine?
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 112609046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).