3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide

C14H21ClN2O2 — CID 114319843

IUPAC3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
SMILESCC(C)(C)NCc1c(Cl)cccc1OCCC(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-11(15)5-4-6-12(10)19-8-7-13(16)18/h4-6,17H,7-9H2,1-3H3,(H2,16,18)
InChIKeyYABCNCJXSOPWOG-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.48
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide

3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide (PubChem CID 114319843) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
PubChem CID114319843
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
SMILESCC(C)(C)NCc1c(Cl)cccc1OCCC(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-11(15)5-4-6-12(10)19-8-7-13(16)18/h4-6,17H,7-9H2,1-3H3,(H2,16,18)
InChIKeyYABCNCJXSOPWOG-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890
N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide (CID 114319843) is 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide is CC(C)(C)NCc1c(Cl)cccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide?
The InChIKey is YABCNCJXSOPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)17-9-10-11(15)5-4-6-12(10)19-8-7-13(16)18/h4-6,17H,7-9H2,1-3H3,(H2,16,18).
What are the key properties of 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide?
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide is sourced from PubChem (CID 114319843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).