3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide

C13H20N2O2 — CID 62625154

IUPAC3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-13(16)6-7-17-12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyPHOFNNWXAXBBPG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds6

About 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide

3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 62625154) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID62625154
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-13(16)6-7-17-12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyPHOFNNWXAXBBPG-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

3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide (CID 62625154) is 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is PHOFNNWXAXBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-13(16)6-7-17-12-5-3-4-11(8-12)9-14/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide?
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide 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 3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).