2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate

C14H21NO2 — CID 178002830

IUPAC2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate
SMILESCCC(C)(C)OC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)17-13(16)9-11-5-7-12(10-15)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyVCOILWCPSWDPSC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.42
Rot. Bonds5

About 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate

2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate (PubChem CID 178002830) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate
PubChem CID178002830
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate
SMILESCCC(C)(C)OC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)17-13(16)9-11-5-7-12(10-15)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyVCOILWCPSWDPSC-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methylbutan-2-yl 4-(aminomethyl)-2-methylbenzoate;molecular hydrogen
CID 143346324
2-methylundecan-2-yl 2-phenylacetate
CID 139889073
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
tert-butyl 2-[4-(2-amino-2-hydroxyiminoethyl)phenyl]acetate
CID 129497400
tert-butyl 2-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]acetate
CID 121207700
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
ethyl 3-[4-(aminomethyl)phenyl]sulfanylpropanoate
CID 69208955
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
[4-(aminomethyl)phenyl] propanoate
CID 23063742
ethyl 2-[4-(aminomethyl)phenoxy]-2-methylpropanoate;ethyl propanoate
CID 159171684
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate?
The IUPAC name of 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate (CID 178002830) is 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate?
The canonical SMILES for 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate is CCC(C)(C)OC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate?
The InChIKey is VCOILWCPSWDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(2,3)17-13(16)9-11-5-7-12(10-15)8-6-11/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate?
2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-[4-(aminomethyl)phenyl]acetate is sourced from PubChem (CID 178002830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).