1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine

C15H24FNO — CID 79198282

IUPAC1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(C)OC
InChIInChI=1S/C15H24FNO/c1-5-10-17-14(15(2,3)18-4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyDEDFQIJWMLUFBA-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine

1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine (PubChem CID 79198282) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
PubChem CID79198282
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(C)OC
InChIInChI=1S/C15H24FNO/c1-5-10-17-14(15(2,3)18-4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyDEDFQIJWMLUFBA-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
3-methoxy-3-methyl-1-(3-methylphenyl)-N-propylbutan-2-amine
CID 79197006
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine (CID 79198282) is 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(F)cc1)C(C)(C)OC.
What is the InChIKey of 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
The InChIKey is DEDFQIJWMLUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-10-17-14(15(2,3)18-4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine?
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79198282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).