methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate

C16H24FNO2 — CID 104928180

IUPACmethyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
SMILESCCCCC(NC(C)Cc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C16H24FNO2/c1-4-5-6-15(16(19)20-3)18-12(2)11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3
InChIKeyWMTIMFNWYHUDLU-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.08
Rot. Bonds8

About methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate

methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate (PubChem CID 104928180) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
PubChem CID104928180
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Namemethyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
SMILESCCCCC(NC(C)Cc1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C16H24FNO2/c1-4-5-6-15(16(19)20-3)18-12(2)11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3
InChIKeyWMTIMFNWYHUDLU-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluorophenyl)methyl]hexanoate
CID 175504475
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
CID 114829624
methyl 2-(2,5-difluoroanilino)hexanoate
CID 103232812
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-(methylamino)-5-oxopentanoate
CID 126627391
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate?
The IUPAC name of methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate (CID 104928180) is methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate.
What is the SMILES notation for methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate?
The canonical SMILES for methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate is CCCCC(NC(C)Cc1ccc(F)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate?
The InChIKey is WMTIMFNWYHUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-5-6-15(16(19)20-3)18-12(2)11-13-7-9-14(17)10-8-13/h7-10,12,15,18H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate?
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate has a molecular weight of 281.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate is sourced from PubChem (CID 104928180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).