ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate

C14H18FNO3 — CID 107698194

IUPACethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1cc(F)ccc1O
InChIInChI=1S/C14H18FNO3/c1-2-19-14(18)13(16-8-9-3-4-9)11-7-10(15)5-6-12(11)17/h5-7,9,13,16-17H,2-4,8H2,1H3
InChIKeySNFYFHUSMXXSOF-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate (PubChem CID 107698194) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
PubChem CID107698194
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1cc(F)ccc1O
InChIInChI=1S/C14H18FNO3/c1-2-19-14(18)13(16-8-9-3-4-9)11-7-10(15)5-6-12(11)17/h5-7,9,13,16-17H,2-4,8H2,1H3
InChIKeySNFYFHUSMXXSOF-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
CID 61001735
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
methyl 2-(cyclopropylmethylamino)-2-(2-ethoxyphenyl)acetate
CID 54894498
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate (CID 107698194) is ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate is CCOC(=O)C(NCC1CC1)c1cc(F)ccc1O.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate?
The InChIKey is SNFYFHUSMXXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-14(18)13(16-8-9-3-4-9)11-7-10(15)5-6-12(11)17/h5-7,9,13,16-17H,2-4,8H2,1H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate has a molecular weight of 267.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate is sourced from PubChem (CID 107698194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).