butan-2-yl 2-(4-aminophenyl)acetate

C12H17NO2 — CID 43830814

IUPACbutan-2-yl 2-(4-aminophenyl)acetate
SMILESCCC(C)OC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3
InChIKeyDQNSWDUJOBCAPC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.15
Rot. Bonds4

About butan-2-yl 2-(4-aminophenyl)acetate

butan-2-yl 2-(4-aminophenyl)acetate (PubChem CID 43830814) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is butan-2-yl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(4-aminophenyl)acetate
PubChem CID43830814
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebutan-2-yl 2-(4-aminophenyl)acetate
SMILESCCC(C)OC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3
InChIKeyDQNSWDUJOBCAPC-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
butan-2-yl 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]acetate
CID 54518585
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
amino 2-(4-aminophenyl)acetate
CID 66872043
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
pentan-2-yl 2-(4-sulfanylphenyl)acetate
CID 107019091
butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816019
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
butan-2-yl 2-(2-methoxyphenyl)acetate
CID 177225373

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(4-aminophenyl)acetate?
The IUPAC name of butan-2-yl 2-(4-aminophenyl)acetate (CID 43830814) is butan-2-yl 2-(4-aminophenyl)acetate.
What is the SMILES notation for butan-2-yl 2-(4-aminophenyl)acetate?
The canonical SMILES for butan-2-yl 2-(4-aminophenyl)acetate is CCC(C)OC(=O)Cc1ccc(N)cc1.
What is the InChIKey of butan-2-yl 2-(4-aminophenyl)acetate?
The InChIKey is DQNSWDUJOBCAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8,13H2,1-2H3.
What are the key properties of butan-2-yl 2-(4-aminophenyl)acetate?
butan-2-yl 2-(4-aminophenyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 43830814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).