2-[4-(aminomethyl)phenoxy]-N-propylpropanamide

C13H20N2O2 — CID 43115802

IUPAC2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(CN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-15-13(16)10(2)17-12-6-4-11(9-14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyABEBVDASXXBADR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide

2-[4-(aminomethyl)phenoxy]-N-propylpropanamide (PubChem CID 43115802) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
PubChem CID43115802
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(CN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-15-13(16)10(2)17-12-6-4-11(9-14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyABEBVDASXXBADR-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
2-[4-(2-hydroxypropyl)phenoxy]-N-pentylpropanamide
CID 115495866
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
2-[5-(aminomethyl)-2-nitrophenoxy]-N-propylpropanamide
CID 62114280
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide (CID 43115802) is 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide?
The InChIKey is ABEBVDASXXBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-8-15-13(16)10(2)17-12-6-4-11(9-14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide?
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-propylpropanamide is sourced from PubChem (CID 43115802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).