2-[4-(methylaminomethyl)phenoxy]butanamide

C12H18N2O2 — CID 62900383

IUPAC2-[4-(methylaminomethyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(CNC)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-3-11(12(13)15)16-10-6-4-9(5-7-10)8-14-2/h4-7,11,14H,3,8H2,1-2H3,(H2,13,15)
InChIKeySTZYCSCNBGRVIZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds6

About 2-[4-(methylaminomethyl)phenoxy]butanamide

2-[4-(methylaminomethyl)phenoxy]butanamide (PubChem CID 62900383) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]butanamide
PubChem CID62900383
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[4-(methylaminomethyl)phenoxy]butanamide
SMILESCCC(Oc1ccc(CNC)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-3-11(12(13)15)16-10-6-4-9(5-7-10)8-14-2/h4-7,11,14H,3,8H2,1-2H3,(H2,13,15)
InChIKeySTZYCSCNBGRVIZ-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)butanamide
CID 4980758
2-(4-ethoxyphenoxy)butanamide
CID 62901060
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264
2-[4-[(2-methylpropylamino)methyl]phenoxy]butanoic acid
CID 64667116
ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
CID 64669906
2-(3-aminophenoxy)butanamide
CID 62901524
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]butanamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]butanamide (CID 62900383) is 2-[4-(methylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]butanamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]butanamide is CCC(Oc1ccc(CNC)cc1)C(N)=O.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]butanamide?
The InChIKey is STZYCSCNBGRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-11(12(13)15)16-10-6-4-9(5-7-10)8-14-2/h4-7,11,14H,3,8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]butanamide?
2-[4-(methylaminomethyl)phenoxy]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 62900383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).