[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen

C13H21NO2 — CID 142561776

IUPAC[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
SMILESCNc1ccc(COC(=O)C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C13H19NO2.H2/c1-13(2,3)12(15)16-9-10-5-7-11(14-4)8-6-10;/h5-8,14H,9H2,1-4H3;1H
InChIKeyJCKLPHJTCGDGFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.06
Rot. Bonds3

About [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen

[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen (PubChem CID 142561776) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
PubChem CID142561776
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
SMILESCNc1ccc(COC(=O)C(C)(C)C)cc1.[H][H]
InChIInChI=1S/C13H19NO2.H2/c1-13(2,3)12(15)16-9-10-5-7-11(14-4)8-6-10;/h5-8,14H,9H2,1-4H3;1H
InChIKeyJCKLPHJTCGDGFF-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-sulfanylpropan-2-ylamino)phenyl]methyl 2,2-dimethylpropanoate
CID 129076673
[4-(butylamino)phenyl]methyl 2,2-dimethylpropanoate
CID 146908653
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
CID 135270980
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
CID 167208592
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
CID 58962186
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
[2-methyl-2-[[4-(methylamino)phenyl]methoxycarbonylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 166497925

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen?
The IUPAC name of [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen (CID 142561776) is [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen.
What is the SMILES notation for [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen?
The canonical SMILES for [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen is CNc1ccc(COC(=O)C(C)(C)C)cc1.[H][H].
What is the InChIKey of [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen?
The InChIKey is JCKLPHJTCGDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.H2/c1-13(2,3)12(15)16-9-10-5-7-11(14-4)8-6-10;/h5-8,14H,9H2,1-4H3;1H.
What are the key properties of [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen?
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen has a molecular weight of 223.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen is sourced from PubChem (CID 142561776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).