2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

C15H23ClN2O2 — CID 114319962

IUPAC2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyATECBQCPMKZWAN-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.60
Rot. Bonds7

About 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 114319962) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID114319962
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19)
InChIKeyATECBQCPMKZWAN-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 114319148
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (CID 114319962) is 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is ATECBQCPMKZWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)8-18-9-12-13(16)6-5-7-14(12)20-11(3)15(19)17-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 114319962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).