propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate

C16H25NO3 — CID 63323185

IUPACpropan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
SMILESCc1ccc(OCC(=O)OC(C)C)c(CNC(C)C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)17-9-14-8-13(5)6-7-15(14)19-10-16(18)20-12(3)4/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyBNMIRZMQVRKDLF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.82
Rot. Bonds7

About propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate

propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate (PubChem CID 63323185) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
PubChem CID63323185
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namepropan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
SMILESCc1ccc(OCC(=O)OC(C)C)c(CNC(C)C)c1
InChIInChI=1S/C16H25NO3/c1-11(2)17-9-14-8-13(5)6-7-15(14)19-10-16(18)20-12(3)4/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyBNMIRZMQVRKDLF-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
N-tert-butyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326538
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-(2-cyanoethyl)-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63326617
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate (CID 63323185) is propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate is Cc1ccc(OCC(=O)OC(C)C)c(CNC(C)C)c1.
What is the InChIKey of propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate?
The InChIKey is BNMIRZMQVRKDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)17-9-14-8-13(5)6-7-15(14)19-10-16(18)20-12(3)4/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate?
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63323185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).