ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate

C15H25NO2 — CID 170794624

IUPACethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
SMILESCC.CCNc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-4-14-12-7-5-11(6-8-12)9-16-13(15)10(2)3;1-2/h5-8,10,14H,4,9H2,1-3H3;1-2H3
InChIKeyBVJWXLFNRCWUSL-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.84
Rot. Bonds5

About ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate

ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate (PubChem CID 170794624) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Nameethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
PubChem CID170794624
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
SMILESCC.CCNc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-4-14-12-7-5-11(6-8-12)9-16-13(15)10(2)3;1-2/h5-8,10,14H,4,9H2,1-3H3;1-2H3
InChIKeyBVJWXLFNRCWUSL-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
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[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
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(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
CID 176717453
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
[4-(ethylamino)phenyl]methyl hypoiodite
CID 129098475
[4-(propan-2-ylamino)phenyl]methyl N-(3-methyl-2-oxobutyl)carbamate;[4-(propan-2-ylamino)phenyl]methyl 2-methylpropanoate
CID 162079113
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
[4-(2-methylpropanoylamino)phenyl]methyl N-deuteriocarbamate
CID 58122561

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate?
The IUPAC name of ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate (CID 170794624) is ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate.
What is the SMILES notation for ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate?
The canonical SMILES for ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate is CC.CCNc1ccc(COC(=O)C(C)C)cc1.
What is the InChIKey of ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate?
The InChIKey is BVJWXLFNRCWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-4-14-12-7-5-11(6-8-12)9-16-13(15)10(2)3;1-2/h5-8,10,14H,4,9H2,1-3H3;1-2H3.
What are the key properties of ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate?
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate has a molecular weight of 251.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 170794624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).