2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide

C14H21ClN2O2 — CID 114319688

IUPAC2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1cccc(Cl)c1CNC(C)C)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-5-6-11(15)10(13)8-17-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H2,16,18)
InChIKeyGQFFDTRXWNYXDY-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.48
Rot. Bonds7

About 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide

2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide (PubChem CID 114319688) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
PubChem CID114319688
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
SMILESCCC(Oc1cccc(Cl)c1CNC(C)C)C(N)=O
InChIInChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-5-6-11(15)10(13)8-17-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H2,16,18)
InChIKeyGQFFDTRXWNYXDY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 114319582
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 114319661
2-[(2-chloro-6-methoxyphenyl)methylamino]-3-methylbutanamide
CID 106344568
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
ethyl 2-[3-chloro-2-(methylaminomethyl)phenoxy]pentanoate
CID 83037956
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-(cyanomethyl)acetamide
CID 114319727
2-(2,5-dichlorophenoxy)butanamide
CID 62901251

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The IUPAC name of 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide (CID 114319688) is 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide.
What is the SMILES notation for 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The canonical SMILES for 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide is CCC(Oc1cccc(Cl)c1CNC(C)C)C(N)=O.
What is the InChIKey of 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
The InChIKey is GQFFDTRXWNYXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-12(14(16)18)19-13-7-5-6-11(15)10(13)8-17-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H2,16,18).
What are the key properties of 2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide?
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.48, 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-[(propan-2-ylamino)methyl]phenoxy]butanamide is sourced from PubChem (CID 114319688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).