3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide

C15H23ClN2O2 — CID 63058039

IUPAC3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-5-6-13(12(16)9-11)20-8-7-14(19)17-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyLFTRYGJMRQWSJN-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds6

About 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide

3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide (PubChem CID 63058039) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
PubChem CID63058039
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-5-6-13(12(16)9-11)20-8-7-14(19)17-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyLFTRYGJMRQWSJN-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]propanoate
CID 63949713
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
4-[2-chloro-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63889885
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
4-[2-chloro-4-(propylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890097
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473
4-[4-(2-aminopropyl)-2-chlorophenoxy]-N-methylbutanamide
CID 63890599

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide (CID 63058039) is 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide?
The InChIKey is LFTRYGJMRQWSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)18-10-11-5-6-13(12(16)9-11)20-8-7-14(19)17-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,17,19).
What are the key properties of 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide?
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 63058039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).