ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate

C15H22FNO2 — CID 55141490

IUPACethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-4-19-15(18)11(2)10-17-12(3)9-13-5-7-14(16)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyZZCUAGKSMZNFQV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.55
Rot. Bonds7

About ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate

ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate (PubChem CID 55141490) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
PubChem CID55141490
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-4-19-15(18)11(2)10-17-12(3)9-13-5-7-14(16)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyZZCUAGKSMZNFQV-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
ethyl (2S)-2-[(4-fluorophenyl)methyl]butanoate
CID 155002155
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
CID 104928180
ethyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 125467960
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
(2S)-2-(ethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid;hydrochloride
CID 174493268
1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989898

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate (CID 55141490) is ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate is CCOC(=O)C(C)CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate?
The InChIKey is ZZCUAGKSMZNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-19-15(18)11(2)10-17-12(3)9-13-5-7-14(16)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate?
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate has a molecular weight of 267.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate is sourced from PubChem (CID 55141490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).