2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide

C14H21ClN2O2 — CID 112610545

IUPAC2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cccc1CNCC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10(2)7-17-8-11-5-4-6-12(15)14(11)19-9-13(18)16-3/h4-6,10,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyZVBFQDNWKSRRLG-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.21
Rot. Bonds7

About 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 112610545) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID112610545
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(Cl)cccc1CNCC(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10(2)7-17-8-11-5-4-6-12(15)14(11)19-9-13(18)16-3/h4-6,10,17H,7-9H2,1-3H3,(H,16,18)
InChIKeyZVBFQDNWKSRRLG-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
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
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115955257
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 107744239

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide (CID 112610545) is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1c(Cl)cccc1CNCC(C)C.
What is the InChIKey of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is ZVBFQDNWKSRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)7-17-8-11-5-4-6-12(15)14(11)19-9-13(18)16-3/h4-6,10,17H,7-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide?
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 112610545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).