propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate

C16H24ClNO3 — CID 115954842

IUPACpropan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCC(C)CNCc1cccc(Cl)c1OCC(=O)OC(C)C
InChIInChI=1S/C16H24ClNO3/c1-11(2)8-18-9-13-6-5-7-14(17)16(13)20-10-15(19)21-12(3)4/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyHDXFVTIZXWTYDZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.42
Rot. Bonds8

About propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate

propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate (PubChem CID 115954842) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
PubChem CID115954842
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Namepropan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCC(C)CNCc1cccc(Cl)c1OCC(=O)OC(C)C
InChIInChI=1S/C16H24ClNO3/c1-11(2)8-18-9-13-6-5-7-14(17)16(13)20-10-15(19)21-12(3)4/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyHDXFVTIZXWTYDZ-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
CID 115953158
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
N-[(2-but-3-ynoxy-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 112610511
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
5-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 115954801
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954772

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate (CID 115954842) is propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate is CC(C)CNCc1cccc(Cl)c1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The InChIKey is HDXFVTIZXWTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-11(2)8-18-9-13-6-5-7-14(17)16(13)20-10-15(19)21-12(3)4/h5-7,11-12,18H,8-10H2,1-4H3.
What are the key properties of propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate has a molecular weight of 313.83 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 115954842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).