N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine

C13H20FNO — CID 105372265

IUPACN-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
SMILESCc1ccc(F)cc1COCCNC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)15-6-7-16-9-12-8-13(14)5-4-11(12)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyIBTZGPGSQPDUOO-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.65
Rot. Bonds6

About N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine

N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine (PubChem CID 105372265) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
PubChem CID105372265
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
SMILESCc1ccc(F)cc1COCCNC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)15-6-7-16-9-12-8-13(14)5-4-11(12)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyIBTZGPGSQPDUOO-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.65
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-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
CID 106864761
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
3-[(4-chloro-2-fluorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 114850573
1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
CID 105372272
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
CID 105372271
N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
CID 112650766
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine (CID 105372265) is N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine is Cc1ccc(F)cc1COCCNC(C)C.
What is the InChIKey of N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine?
The InChIKey is IBTZGPGSQPDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)15-6-7-16-9-12-8-13(14)5-4-11(12)3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine?
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 105372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).