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

C16H25ClN2O2 — CID 115954792

IUPAC2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(C)CNCc1cccc(Cl)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C16H25ClN2O2/c1-11(2)9-18-10-13-7-6-8-14(17)15(13)21-12(3)16(20)19(4)5/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNXASMPIKJXSNRU-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.94
Rot. Bonds7

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

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 115954792) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID115954792
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCC(C)CNCc1cccc(Cl)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C16H25ClN2O2/c1-11(2)9-18-10-13-7-6-8-14(17)15(13)21-12(3)16(20)19(4)5/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNXASMPIKJXSNRU-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
N-[(2-but-3-ynoxy-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 112610511
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703
5-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 115954801

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 115954792) is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide is CC(C)CNCc1cccc(Cl)c1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is NXASMPIKJXSNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11(2)9-18-10-13-7-6-8-14(17)15(13)21-12(3)16(20)19(4)5/h6-8,11-12,18H,9-10H2,1-5H3.
What are the key properties of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 312.84 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 115954792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).