1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine

C12H18FNO — CID 89447620

IUPAC1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine
SMILESCONC(CF)CCc1ccc(C)cc1
InChIInChI=1S/C12H18FNO/c1-10-3-5-11(6-4-10)7-8-12(9-13)14-15-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyFHXHHIYDXZEZOG-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.42
Rot. Bonds6

About 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine

1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine (PubChem CID 89447620) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine
PubChem CID89447620
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine
SMILESCONC(CF)CCc1ccc(C)cc1
InChIInChI=1S/C12H18FNO/c1-10-3-5-11(6-4-10)7-8-12(9-13)14-15-2/h3-6,12,14H,7-9H2,1-2H3
InChIKeyFHXHHIYDXZEZOG-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105111911
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919
2-[[(2S)-4-(4-methylphenyl)butan-2-yl]amino]propane-1,3-diol
CID 97323021

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine (CID 89447620) is 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine is CONC(CF)CCc1ccc(C)cc1.
What is the InChIKey of 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine?
The InChIKey is FHXHHIYDXZEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10-3-5-11(6-4-10)7-8-12(9-13)14-15-2/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine?
1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methoxy-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 89447620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).