4-[3-(aminomethyl)phenoxy]-N-methylbutanamide

C12H18N2O2 — CID 63892226

IUPAC4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cccc(CN)c1
InChIInChI=1S/C12H18N2O2/c1-14-12(15)6-3-7-16-11-5-2-4-10(8-11)9-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyOTPYNUGKOOEJNN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds6

About 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide

4-[3-(aminomethyl)phenoxy]-N-methylbutanamide (PubChem CID 63892226) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
PubChem CID63892226
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1cccc(CN)c1
InChIInChI=1S/C12H18N2O2/c1-14-12(15)6-3-7-16-11-5-2-4-10(8-11)9-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyOTPYNUGKOOEJNN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63891368
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
CID 168970083
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
(3-hex-4-enoxyphenyl)methanamine
CID 68779575

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide (CID 63892226) is 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide is CNC(=O)CCCOc1cccc(CN)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide?
The InChIKey is OTPYNUGKOOEJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-12(15)6-3-7-16-11-5-2-4-10(8-11)9-13/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15).
What are the key properties of 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide?
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide 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 4-[3-(aminomethyl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 63892226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).