2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide

C14H21ClN2O2 — CID 112610531

IUPAC2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1cccc(Cl)c1OC(C)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-9(2)7-17-8-11-5-4-6-12(15)13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyIRMAHWRZHAORBU-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.34
Rot. Bonds7

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

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 112610531) 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]propanamide.

Molecular Properties

Compound Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID112610531
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1cccc(Cl)c1OC(C)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-9(2)7-17-8-11-5-4-6-12(15)13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18)
InChIKeyIRMAHWRZHAORBU-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 115954792
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057775
N-[(2-but-3-ynoxy-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 112610511
N-[[2-(2-butoxyethoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954772

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 112610531) is 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide is CC(C)CNCc1cccc(Cl)c1OC(C)C(N)=O.
What is the InChIKey of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is IRMAHWRZHAORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)7-17-8-11-5-4-6-12(15)13(11)19-10(3)14(16)18/h4-6,9-10,17H,7-8H2,1-3H3,(H2,16,18).
What are the key properties of 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide?
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.34, 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]propanamide is sourced from PubChem (CID 112610531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).