(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate

C15H23NO3 — CID 115430699

IUPAC(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-16)14(17)19-10-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyVTYXZJBTRHNIPP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds7

About (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate

(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate (PubChem CID 115430699) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
PubChem CID115430699
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
SMILESCCC(CC)(CN)C(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-16)14(17)19-10-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyVTYXZJBTRHNIPP-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
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(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
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(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl]methyl 2,2-dimethylbutanoate
CID 153307234
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate (CID 115430699) is (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate is CCC(CC)(CN)C(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate?
The InChIKey is VTYXZJBTRHNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2,11-16)14(17)19-10-12-6-8-13(18-3)9-7-12/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate?
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate is sourced from PubChem (CID 115430699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).